CID 25777

5-hydroxy-2-isopropoxyphenyl methylcarbamate

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)OC1=C(C=CC(=C1)O)OC(=O)NC
InChI
InChI=1S/C11H15NO4/c1-7(2)15-10-6-8(13)4-5-9(10)16-11(14)12-3/h4-7,13H,1-3H3,(H,12,14)
InChIKey
CGPWEDLCJPYTRD-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-propan-2-yloxyphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 148.9
[M+Na]+ 248.08933 155.7
[M-H]- 224.09283 151.6
[M+NH4]+ 243.13393 166.4
[M+K]+ 264.06327 155.0
[M+H-H2O]+ 208.09737 142.7
[M+HCOO]- 270.09831 171.4
[M+CH3COO]- 284.11396 189.8
[M+Na-2H]- 246.07478 152.0
[M]+ 225.09956 151.3
[M]- 225.10066 151.3
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.