CID 164785

1-methylcyclohexanecarboxamide

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(CCCCC1)C(=O)N
InChI
InChI=1S/C8H15NO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)
InChIKey
GDLOOQFSFHLRKT-UHFFFAOYSA-N
Compound name
1-methylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

682
Patents

141.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.6
[M+Na]+ 164.104588 136.4
[M-H]- 140.108094 134.1
[M+NH4]+ 159.149193 154.3
[M+K]+ 180.078528 135.7
[M+H-H2O]+ 124.112630 126.9
[M+HCOO]- 186.113571 151.9
[M+CH3COO]- 200.129221 175.0
[M+Na-2H]- 162.090036 136.4
[M]+ 141.11482142 125.4
[M]- 141.11591858 125.4
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