CID 16784326

3-amino-n-cyclohexylpropanamide

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CCC(CC1)NC(=O)CCN
InChI
InChI=1S/C9H18N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)
InChIKey
OHYOQNYNFIQCLU-UHFFFAOYSA-N
Compound name
3-amino-N-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 139.8
[M+Na]+ 193.13112 142.4
[M-H]- 169.13462 141.6
[M+NH4]+ 188.17572 158.9
[M+K]+ 209.10506 141.1
[M+H-H2O]+ 153.13916 133.4
[M+HCOO]- 215.14010 160.8
[M+CH3COO]- 229.15575 182.9
[M+Na-2H]- 191.11657 143.2
[M]+ 170.14135 132.8
[M]- 170.14245 132.8
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