CID 14283

Cyclohexanecarboxamide

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CCC(CC1)C(=O)N
InChI
InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKey
PNZXMIKHJXIPEK-UHFFFAOYSA-N
Compound name
cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

298
References

20136
Patents

127.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.3
[M+Na]+ 150.088938 131.6
[M-H]- 126.092444 129.6
[M+NH4]+ 145.133543 148.4
[M+K]+ 166.062878 130.8
[M+H-H2O]+ 110.096980 121.8
[M+HCOO]- 172.097921 147.9
[M+CH3COO]- 186.113571 172.4
[M+Na-2H]- 148.074386 131.5
[M]+ 127.09917142 120.4
[M]- 127.10026858 120.4
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

patents stripe