CID 42608271

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

Structural Information

Molecular Formula
C25H46O
SMILES
CC(C)CCCC(=C)C(CCC(C)C=C)CC1C(O1)(C)CCCC(C)C
InChI
InChI=1S/C25H46O/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/h9,19-21,23-24H,1,7,10-18H2,2-6,8H3
InChIKey
YOCDPWQZFQLBCY-UHFFFAOYSA-N
Compound name
2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpentyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.35486 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.36214 193.6
[M+Na]+ 385.34408 196.3
[M-H]- 361.34758 196.7
[M+NH4]+ 380.38868 202.7
[M+K]+ 401.31802 193.6
[M+H-H2O]+ 345.35212 187.6
[M+HCOO]- 407.35306 206.4
[M+CH3COO]- 421.36871 228.6
[M+Na-2H]- 383.32953 187.9
[M]+ 362.35431 201.5
[M]- 362.35541 201.5
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.