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
2
Annotation Hits

0
References

121
Patents

152.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 133.3
[M+Na]+ 175.12057 139.4
[M-H]- 151.12407 135.7
[M+NH4]+ 170.16517 151.8
[M+K]+ 191.09451 136.8
[M+H-H2O]+ 135.12861 121.1
[M+HCOO]- 197.12955 151.3
[M+CH3COO]- 211.14520 191.1
[M+Na-2H]- 173.10602 138.8
[M]+ 152.13080 123.8
[M]- 152.13190 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