CID 131325278

3-amino-1-methylcyclohexane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
CC1(CCCC(C1)N)C#N
InChI
InChI=1S/C8H14N2/c1-8(6-9)4-2-3-7(10)5-8/h7H,2-5,10H2,1H3
InChIKey
CWTWISUHUSOWMU-UHFFFAOYSA-N
Compound name
3-amino-1-methylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.11569 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 130.6
[M+Na]+ 161.10491 139.0
[M-H]- 137.10841 133.6
[M+NH4]+ 156.14951 151.6
[M+K]+ 177.07885 136.1
[M+H-H2O]+ 121.11295 119.8
[M+HCOO]- 183.11389 148.4
[M+CH3COO]- 197.12954 188.3
[M+Na-2H]- 159.09036 135.9
[M]+ 138.11514 120.5
[M]- 138.11624 120.5
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

No patent data available for this compound.