CID 21163863

2-aminocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CCC(C(C1)C#N)N
InChI
InChI=1S/C7H12N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-4,9H2
InChIKey
RVGOKHBYNZPVGI-UHFFFAOYSA-N
Compound name
2-aminocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

124.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 126.2
[M+Na]+ 147.089268 134.0
[M-H]- 123.092774 128.9
[M+NH4]+ 142.133873 145.8
[M+K]+ 163.063208 131.6
[M+H-H2O]+ 107.097310 114.7
[M+HCOO]- 169.098251 144.3
[M+CH3COO]- 183.113901 186.0
[M+Na-2H]- 145.074716 131.0
[M]+ 124.09950142 115.5
[M]- 124.10059858 115.5
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