CID 79388

Heptadecanenitrile

Structural Information

Molecular Formula
C17H33N
SMILES
CCCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
InChIKey
ZXPWFWWSCFIFII-UHFFFAOYSA-N
Compound name
heptadecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

318
Patents

251.2613 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.26858 160.3
[M+Na]+ 274.25052 165.5
[M-H]- 250.25402 159.5
[M+NH4]+ 269.29512 176.3
[M+K]+ 290.22446 162.2
[M+H-H2O]+ 234.25856 147.8
[M+HCOO]- 296.25950 177.7
[M+CH3COO]- 310.27515 212.0
[M+Na-2H]- 272.23597 162.5
[M]+ 251.26075 160.6
[M]- 251.26185 160.6
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

patents stripe