CID 26182

Propyl 3-hydroxycarbanilate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCCOC(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C10H13NO3/c1-2-6-14-10(13)11-8-4-3-5-9(12)7-8/h3-5,7,12H,2,6H2,1H3,(H,11,13)

InChIKey

CNEBLWJNTBZOPL-UHFFFAOYSA-N

Compound name

propyl N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.08954 Da
Monoisotopic Mass: 2.4
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]+	196.09682	141.7
[M+Na]+	218.07876	148.3
[M-H]-	194.08226	144.1
[M+NH4]+	213.12336	160.2
[M+K]+	234.05270	146.7
[M+H-H2O]+	178.08680	135.5
[M+HCOO]-	240.08774	165.3
[M+CH3COO]-	254.10339	182.5
[M+Na-2H]-	216.06421	147.2
[M]+	195.08899	142.5
[M]-	195.09009	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe