CID 130064410

1427372-12-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1=C(C=CC(=C1OC)N)C(=O)OC

InChI

InChI=1S/C10H13NO3/c1-6-7(10(12)14-3)4-5-8(11)9(6)13-2/h4-5H,11H2,1-3H3

InChIKey

XIYZFLGAPCPGGM-UHFFFAOYSA-N

Compound name

methyl 4-amino-3-methoxy-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 1.4
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	140.4
[M+Na]+	218.07876	149.3
[M-H]-	194.08226	144.5
[M+NH4]+	213.12336	160.1
[M+K]+	234.05270	148.4
[M+H-H2O]+	178.08680	134.6
[M+HCOO]-	240.08774	165.0
[M+CH3COO]-	254.10339	187.5
[M+Na-2H]-	216.06421	144.0
[M]+	195.08899	143.0
[M]-	195.09009	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe