CID 58018505

1-(hydroxymethyl)-n-methylcyclohexane-1-carboxamide

Structural Information

Molecular Formula
C9H17NO2
SMILES
CNC(=O)C1(CCCCC1)CO
InChI
InChI=1S/C9H17NO2/c1-10-8(12)9(7-11)5-3-2-4-6-9/h11H,2-7H2,1H3,(H,10,12)
InChIKey
OSUCMSQHXIGGKX-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.4
[M+Na]+ 194.115148 143.4
[M-H]- 170.118654 140.8
[M+NH4]+ 189.159753 160.4
[M+K]+ 210.089088 142.3
[M+H-H2O]+ 154.123190 134.5
[M+HCOO]- 216.124131 158.7
[M+CH3COO]- 230.139781 177.5
[M+Na-2H]- 192.100596 144.3
[M]+ 171.12538142 134.1
[M]- 171.12647858 134.1
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