CID 12532

Stearonitrile

Structural Information

Molecular Formula
C18H35N
SMILES
CCCCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKey
RHSBIGNQEIPSCT-UHFFFAOYSA-N
Compound name
octadecanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

1449
Patents

265.27695 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.28423 164.1
[M+Na]+ 288.26617 168.9
[M-H]- 264.26967 163.2
[M+NH4]+ 283.31077 179.6
[M+K]+ 304.24011 165.4
[M+H-H2O]+ 248.27421 151.4
[M+HCOO]- 310.27515 181.2
[M+CH3COO]- 324.29080 214.6
[M+Na-2H]- 286.25162 165.9
[M]+ 265.27640 164.8
[M]- 265.27750 164.8
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