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]+ 171.14918 138.1
[M+Na]+ 193.13112 143.6
[M-H]- 169.13462 140.5
[M+NH4]+ 188.17572 161.3
[M+K]+ 209.10506 142.6
[M+H-H2O]+ 153.13916 134.2
[M+HCOO]- 215.14010 158.4
[M+CH3COO]- 229.15575 183.4
[M+Na-2H]- 191.11657 142.3
[M]+ 170.14135 131.4
[M]- 170.14245 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.