CID 21205

Methyl 14-methylpentadecanoate

Structural Information

Molecular Formula
C17H34O2
SMILES
CC(C)CCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKey
WAKCWJNDXBPEBP-UHFFFAOYSA-N
Compound name
methyl 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

270.2559 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.26318 175.3
[M+Na]+ 293.24512 177.9
[M-H]- 269.24862 173.7
[M+NH4]+ 288.28972 191.9
[M+K]+ 309.21906 176.0
[M+H-H2O]+ 253.25316 168.8
[M+HCOO]- 315.25410 194.2
[M+CH3COO]- 329.26975 204.3
[M+Na-2H]- 291.23057 173.9
[M]+ 270.25535 181.6
[M]- 270.25645 181.6
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.