CID 98566

Nonadecanenitrile

Structural Information

Molecular Formula
C19H37N
SMILES
CCCCCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3
InChIKey
MVDGSHXQMOKTDJ-UHFFFAOYSA-N
Compound name
nonadecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

279.2926 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.29988 167.9
[M+Na]+ 302.28182 172.4
[M-H]- 278.28532 166.8
[M+NH4]+ 297.32642 182.9
[M+K]+ 318.25576 168.6
[M+H-H2O]+ 262.28986 155.1
[M+HCOO]- 324.29080 184.8
[M+CH3COO]- 338.30645 217.3
[M+Na-2H]- 300.26727 169.2
[M]+ 279.29205 168.9
[M]- 279.29315 168.9
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