CID 602288

Ethyl n-(4-hydroxyphenyl)carbamate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCOC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKey
BECNKUVYBNETOM-UHFFFAOYSA-N
Compound name
ethyl N-(4-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

601
Patents

181.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.0
[M+Na]+ 204.06312 144.1
[M-H]- 180.06662 139.6
[M+NH4]+ 199.10772 156.2
[M+K]+ 220.03706 142.7
[M+H-H2O]+ 164.07116 131.1
[M+HCOO]- 226.07210 161.0
[M+CH3COO]- 240.08775 179.5
[M+Na-2H]- 202.04857 143.1
[M]+ 181.07335 137.5
[M]- 181.07445 137.5
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

patents stripe