CID 94865

1-(methylamino)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
CNC1(CCCCC1)C#N
InChI
InChI=1S/C8H14N2/c1-10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKey
DSMAHJDZYJDGTD-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

15
Patents

138.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 130.1
[M+Na]+ 161.10491 137.8
[M-H]- 137.10841 133.2
[M+NH4]+ 156.14951 151.1
[M+K]+ 177.07885 135.0
[M+H-H2O]+ 121.11295 119.0
[M+HCOO]- 183.11389 148.5
[M+CH3COO]- 197.12954 188.0
[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

literature stripe

Patent stripe

patents stripe