CID 42608272

2,6,10,14-tetramethyl-6,7-epoxy-9-(3-methyl-pentyl)-pentadecane

Structural Information

Molecular Formula
C25H50O
SMILES
CCC(C)CCC(CC1C(O1)(C)CCCC(C)C)C(C)CCCC(C)C
InChI
InChI=1S/C25H50O/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/h19-24H,9-18H2,1-8H3
InChIKey
CKTDKWGLYNYMOS-UHFFFAOYSA-N
Compound name
3-[3,7-dimethyl-2-(3-methylpentyl)octyl]-2-methyl-2-(4-methylpentyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.38617 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.39345 196.5
[M+Na]+ 389.37539 198.7
[M-H]- 365.37889 199.6
[M+NH4]+ 384.41999 205.7
[M+K]+ 405.34933 197.2
[M+H-H2O]+ 349.38343 190.3
[M+HCOO]- 411.38437 209.0
[M+CH3COO]- 425.40002 230.1
[M+Na-2H]- 387.36084 190.7
[M]+ 366.38562 205.8
[M]- 366.38672 205.8
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.