CID 17764060

1-(aminomethyl)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
C1CCC(CC1)(CN)C#N
InChI
InChI=1S/C8H14N2/c9-6-8(7-10)4-2-1-3-5-8/h1-6,9H2
InChIKey
ZFXSRXFFVQUSJG-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

138.11569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 131.0
[M+Na]+ 161.104908 138.7
[M-H]- 137.108414 133.7
[M+NH4]+ 156.149513 151.8
[M+K]+ 177.078848 135.6
[M+H-H2O]+ 121.112950 119.9
[M+HCOO]- 183.113891 148.8
[M+CH3COO]- 197.129541 187.3
[M+Na-2H]- 159.090356 137.0
[M]+ 138.11514142 120.7
[M]- 138.11623858 120.7
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