CID 64417018

1-amino-4,4-dimethylcyclohexane-1-carboxamide

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC1(CCC(CC1)(C(=O)N)N)C
InChI
InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)
InChIKey
SCEKEGZXSWOPCH-UHFFFAOYSA-N
Compound name
1-amino-4,4-dimethylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 138.1
[M+Na]+ 193.131118 143.6
[M-H]- 169.134624 140.5
[M+NH4]+ 188.175723 161.3
[M+K]+ 209.105058 142.6
[M+H-H2O]+ 153.139160 134.2
[M+HCOO]- 215.140101 158.4
[M+CH3COO]- 229.155751 183.4
[M+Na-2H]- 191.116566 142.3
[M]+ 170.14135142 131.4
[M]- 170.14244858 131.4
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

No patent data available for this compound.