CID 87568

Pentadecanenitrile

Structural Information

Molecular Formula
C15H29N
SMILES
CCCCCCCCCCCCCCC#N
InChI
InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
InChIKey
KRKQHNVYOWTEQO-UHFFFAOYSA-N
Compound name
pentadecanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

551
Patents

223.23 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.23728 152.6
[M+Na]+ 246.21922 158.5
[M-H]- 222.22272 152.2
[M+NH4]+ 241.26382 169.6
[M+K]+ 262.19316 155.7
[M+H-H2O]+ 206.22726 140.4
[M+HCOO]- 268.22820 170.6
[M+CH3COO]- 282.24385 206.6
[M+Na-2H]- 244.20467 155.7
[M]+ 223.22945 152.2
[M]- 223.23055 152.2
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