CID 12175791

850791-50-3

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC(=O)NCC1=CC=CC=C1O

InChI

InChI=1S/C9H11NO3/c1-13-9(12)10-6-7-4-2-3-5-8(7)11/h2-5,11H,6H2,1H3,(H,10,12)

InChIKey

OWRCTAQXLPMEQY-UHFFFAOYSA-N

Compound name

methyl N-[(2-hydroxyphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.0739 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe