CID 139591511

13-methyltetradecanenitrile

Structural Information

Molecular Formula
C15H29N
SMILES
CC(C)CCCCCCCCCCCC#N
InChI
InChI=1S/C15H29N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15H,3-13H2,1-2H3
InChIKey
PXOOGEZSAPLDJY-UHFFFAOYSA-N
Compound name
13-methyltetradecanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.23 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.23728 154.4
[M+Na]+ 246.21922 160.1
[M-H]- 222.22272 154.0
[M+NH4]+ 241.26382 171.3
[M+K]+ 262.19316 157.7
[M+H-H2O]+ 206.22726 142.2
[M+HCOO]- 268.22820 171.4
[M+CH3COO]- 282.24385 207.2
[M+Na-2H]- 244.20467 156.2
[M]+ 223.22945 153.3
[M]- 223.23055 153.3
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