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]+ 139.12297 131.0
[M+Na]+ 161.10491 138.7
[M-H]- 137.10841 133.7
[M+NH4]+ 156.14951 151.8
[M+K]+ 177.07885 135.6
[M+H-H2O]+ 121.11295 119.9
[M+HCOO]- 183.11389 148.8
[M+CH3COO]- 197.12954 187.3
[M+Na-2H]- 159.09036 137.0
[M]+ 138.11514 120.7
[M]- 138.11624 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