CID 23463686

4-aminocyclohexanecarbonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CC(CCC1C#N)N
InChI
InChI=1S/C7H12N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-4,9H2
InChIKey
ITGMTNOYOPHQAE-UHFFFAOYSA-N
Compound name
4-aminocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

124.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 130.3
[M+Na]+ 147.08927 140.0
[M+NH4]+ 142.13387 135.9
[M+K]+ 163.06321 131.1
[M-H]- 123.09277 125.7
[M+Na-2H]- 145.07472 133.0
[M]+ 124.09950 129.3
[M]- 124.10060 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe