CID 21191822

151830-35-2

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC1=CC=CC=C1N(C(=O)OC)O

InChI

InChI=1S/C9H11NO3/c1-7-5-3-4-6-8(7)10(12)9(11)13-2/h3-6,12H,1-2H3

InChIKey

JOZFRGBAVMTVLW-UHFFFAOYSA-N

Compound name

methyl N-hydroxy-N-(2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 181.0739 Da
Monoisotopic Mass: 1.6
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	136.7
[M+Na]+	204.06312	144.0
[M-H]-	180.06662	140.8
[M+NH4]+	199.10772	156.5
[M+K]+	220.03706	144.0
[M+H-H2O]+	164.07116	130.7
[M+HCOO]-	226.07210	161.3
[M+CH3COO]-	240.08775	182.9
[M+Na-2H]-	202.04857	142.0
[M]+	181.07335	138.4
[M]-	181.07445	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe