CID 15566853

Methyl n-(4-hydroxyphenyl)carbamate

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO3/c1-12-8(11)9-6-2-4-7(10)5-3-6/h2-5,10H,1H3,(H,9,11)
InChIKey
OHNUXXRXJBCUFT-UHFFFAOYSA-N
Compound name
methyl N-(4-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.4
[M+Na]+ 190.047458 139.9
[M-H]- 166.050964 135.2
[M+NH4]+ 185.092063 152.1
[M+K]+ 206.021398 138.8
[M+H-H2O]+ 150.055500 126.7
[M+HCOO]- 212.056441 156.7
[M+CH3COO]- 226.072091 176.4
[M+Na-2H]- 188.032906 139.0
[M]+ 167.05769142 132.5
[M]- 167.05878858 132.5
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