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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 148.4
[M+Na]+ 260.06417 159.6
[M-H]- 236.06767 148.9
[M+NH4]+ 255.10877 164.7
[M+K]+ 276.03811 157.5
[M+H-H2O]+ 220.07221 140.8
[M+HCOO]- 282.07315 169.2
[M+CH3COO]- 296.08880 189.0
[M+Na-2H]- 258.04962 153.9
[M]+ 237.07440 154.9
[M]- 237.07550 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.