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
3
Annotation Hits

3
References

1383
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 168.3
[M+Na]+ 288.26617 177.1
[M+NH4]+ 283.31077 172.0
[M+K]+ 304.24011 165.1
[M-H]- 264.26967 161.3
[M+Na-2H]- 286.25162 168.3
[M]+ 265.27640 166.7
[M]- 265.27750 166.7
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