CID 16722

Undecanenitrile

Structural Information

Molecular Formula
C11H21N
SMILES
CCCCCCCCCCC#N
InChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKey
SZKKNEOUHLFYNA-UHFFFAOYSA-N
Compound name
undecanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1419
Patents

167.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 137.0
[M+Na]+ 190.15662 144.3
[M-H]- 166.16012 137.2
[M+NH4]+ 185.20122 155.9
[M+K]+ 206.13056 142.6
[M+H-H2O]+ 150.16466 125.5
[M+HCOO]- 212.16560 156.1
[M+CH3COO]- 226.18125 195.8
[M+Na-2H]- 188.14207 142.0
[M]+ 167.16685 135.2
[M]- 167.16795 135.2
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