CID 42608270

2,6,14-trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadec-2-ene

Structural Information

Molecular Formula
C25H44O
SMILES
CC(C)CCCC(=C)C(CCC(C)C=C)CC1C(O1)(C)CCC=C(C)C
InChI
InChI=1S/C25H44O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3
InChIKey
DFYPQSCRXJHGDF-UHFFFAOYSA-N
Compound name
2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.3392 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.34648 192.3
[M+Na]+ 383.32842 195.4
[M-H]- 359.33192 195.5
[M+NH4]+ 378.37302 201.5
[M+K]+ 399.30236 192.1
[M+H-H2O]+ 343.33646 186.4
[M+HCOO]- 405.33740 205.3
[M+CH3COO]- 419.35305 227.2
[M+Na-2H]- 381.31387 186.7
[M]+ 360.33865 199.5
[M]- 360.33975 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.