CID 100654346

1-methoxy-4-phenylcyclohexane-1-carboxamide

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1(CCC(CC1)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C14H19NO2/c1-17-14(13(15)16)9-7-12(8-10-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16)
InChIKey
PKDFKTNITDMZNE-UHFFFAOYSA-N
Compound name
1-methoxy-4-phenylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.4
[M+Na]+ 256.13081 158.9
[M-H]- 232.13431 159.9
[M+NH4]+ 251.17541 173.1
[M+K]+ 272.10475 156.5
[M+H-H2O]+ 216.13885 147.5
[M+HCOO]- 278.13979 174.5
[M+CH3COO]- 292.15544 192.1
[M+Na-2H]- 254.11626 158.0
[M]+ 233.14104 149.7
[M]- 233.14214 149.7
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

No patent data available for this compound.