CID 85756565

Methyl 15-cyanopentadecanoate

Structural Information

Molecular Formula
C17H31NO2
SMILES
COC(=O)CCCCCCCCCCCCCCC#N
InChI
InChI=1S/C17H31NO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-15H2,1H3
InChIKey
NWDLYWNGKGFCQE-UHFFFAOYSA-N
Compound name
methyl 15-cyanopentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.24275 166.5
[M+Na]+ 304.22469 171.7
[M-H]- 280.22819 165.8
[M+NH4]+ 299.26929 181.2
[M+K]+ 320.19863 169.2
[M+H-H2O]+ 264.23273 153.7
[M+HCOO]- 326.23367 183.6
[M+CH3COO]- 340.24932 214.5
[M+Na-2H]- 302.21014 167.5
[M]+ 281.23492 168.0
[M]- 281.23602 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.