CID 3481451

1-(p-chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CC(C)(COC(=O)N)C(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C12H16ClNO3/c1-12(2,7-17-11(14)16)10(15)8-3-5-9(13)6-4-8/h3-6,10,15H,7H2,1-2H3,(H2,14,16)
InChIKey
VPINAMCGEJTXAA-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 156.7
[M+Na]+ 280.07110 166.7
[M+NH4]+ 275.11570 163.2
[M+K]+ 296.04504 162.6
[M-H]- 256.07460 156.7
[M+Na-2H]- 278.05655 160.8
[M]+ 257.08133 158.2
[M]- 257.08243 158.2
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.