CID 218953

41416-58-4

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=CC=C(C=C1)C2CCC(CC2)(C#C)NC(=O)O
InChI
InChI=1S/C16H19NO3/c1-3-16(17-15(18)19)10-8-13(9-11-16)12-4-6-14(20-2)7-5-12/h1,4-7,13,17H,8-11H2,2H3,(H,18,19)
InChIKey
NGONGYIQCOACRV-UHFFFAOYSA-N
Compound name
[1-ethynyl-4-(4-methoxyphenyl)cyclohexyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.9
[M+Na]+ 296.12572 174.0
[M+NH4]+ 291.17032 168.6
[M+K]+ 312.09966 163.4
[M-H]- 272.12922 158.7
[M+Na-2H]- 294.11117 167.5
[M]+ 273.13595 162.9
[M]- 273.13705 162.9
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.