CID 82146603

1267590-23-7

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₄

SMILES

COC1=C(C=C2C(=C1)N=NN2CC(=O)O)OC

InChI

InChI=1S/C10H11N3O4/c1-16-8-3-6-7(4-9(8)17-2)13(12-11-6)5-10(14)15/h3-4H,5H2,1-2H3,(H,14,15)

InChIKey

HKXITTGGHYMTNM-UHFFFAOYSA-N

Compound name

2-(5,6-dimethoxybenzotriazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.07495 Da
Monoisotopic Mass: 0.5
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]+	238.082226	148.4
[M+Na]+	260.064168	159.6
[M-H]-	236.067674	148.9
[M+NH4]+	255.108773	164.7
[M+K]+	276.038108	157.5
[M+H-H2O]+	220.072210	140.8
[M+HCOO]-	282.073151	169.2
[M+CH3COO]-	296.088801	189.0
[M+Na-2H]-	258.049616	153.9
[M]+	237.07440142	154.9
[M]-	237.07549858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.