CID 61201

3-(cyclohexylamino)propanenitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
C1CCC(CC1)NCCC#N
InChI
InChI=1S/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2
InChIKey
OLUJYRYCQHJDKJ-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

160
Patents

152.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 133.3
[M+Na]+ 175.120568 139.4
[M-H]- 151.124074 135.7
[M+NH4]+ 170.165173 151.8
[M+K]+ 191.094508 136.8
[M+H-H2O]+ 135.128610 121.1
[M+HCOO]- 197.129551 151.3
[M+CH3COO]- 211.145201 191.1
[M+Na-2H]- 173.106016 138.8
[M]+ 152.13080142 123.8
[M]- 152.13189858 123.8
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