CID 53471790

3-amino-3-cyclohexylpropanamide hydrochloride

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CCC(CC1)C(CC(=O)N)N
InChI
InChI=1S/C9H18N2O/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H2,11,12)
InChIKey
ZBHYMBGLJYOYSZ-UHFFFAOYSA-N
Compound name
3-amino-3-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.7
[M+Na]+ 193.131118 143.0
[M-H]- 169.134624 142.0
[M+NH4]+ 188.175723 159.3
[M+K]+ 209.105058 141.9
[M+H-H2O]+ 153.139160 134.4
[M+HCOO]- 215.140101 160.0
[M+CH3COO]- 229.155751 183.8
[M+Na-2H]- 191.116566 141.8
[M]+ 170.14135142 132.2
[M]- 170.14244858 132.2
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