CID 28617

4-hydroxyzectran

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC1=CC(=CC(=C1O)C)OC(=O)NC
InChI
InChI=1S/C10H13NO3/c1-6-4-8(14-10(13)11-3)5-7(2)9(6)12/h4-5,12H,1-3H3,(H,11,13)
InChIKey
PUZFRZMVSBGZOQ-UHFFFAOYSA-N
Compound name
(4-hydroxy-3,5-dimethylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 140.7
[M+Na]+ 218.07876 149.3
[M-H]- 194.08226 144.0
[M+NH4]+ 213.12336 160.0
[M+K]+ 234.05270 147.8
[M+H-H2O]+ 178.08680 135.2
[M+HCOO]- 240.08774 164.4
[M+CH3COO]- 254.10339 185.0
[M+Na-2H]- 216.06421 144.9
[M]+ 195.08899 142.4
[M]- 195.09009 142.4
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.