CID 25072

Aminomatacil

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CC1=C(C=CC(=C1)OC(=O)NC)N

InChI

InChI=1S/C9H12N2O2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)

InChIKey

OCYWBKLVMHFSSX-UHFFFAOYSA-N

Compound name

(4-amino-3-methylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.08987 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]+	181.097146	137.9
[M+Na]+	203.079088	145.6
[M-H]-	179.082594	141.8
[M+NH4]+	198.123693	157.6
[M+K]+	219.053028	144.2
[M+H-H2O]+	163.087130	131.8
[M+HCOO]-	225.088071	163.6
[M+CH3COO]-	239.103721	185.5
[M+Na-2H]-	201.064536	142.9
[M]+	180.08932142	137.4
[M]-	180.09041858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe