CID 25210294

2-hydroxy-3-(3-methylpropan-2-ol) benzene-n-methylcarbamate

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C)(CC1=C(C(=CC=C1)OC(=O)NC)O)O
InChI
InChI=1S/C12H17NO4/c1-12(2,16)7-8-5-4-6-9(10(8)14)17-11(15)13-3/h4-6,14,16H,7H2,1-3H3,(H,13,15)
InChIKey
ILKNALUJMWELEO-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-hydroxy-2-methylpropyl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.6
[M+Na]+ 262.104968 160.1
[M-H]- 238.108474 154.9
[M+NH4]+ 257.149573 170.0
[M+K]+ 278.078908 158.4
[M+H-H2O]+ 222.113010 148.0
[M+HCOO]- 284.113951 173.7
[M+CH3COO]- 298.129601 189.9
[M+Na-2H]- 260.090416 157.8
[M]+ 239.11520142 154.6
[M]- 239.11629858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.