CID 24752099

1003310-07-3

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)CC(=O)O

InChI

InChI=1S/C11H11N3O2/c15-11(16)6-10-8-14(13-12-10)7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)

InChIKey

QVAZRSGRAKKDQJ-UHFFFAOYSA-N

Compound name

2-(1-benzyltriazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 217.08513 Da
Monoisotopic Mass: 0.8
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]+	218.09241	147.7
[M+Na]+	240.07435	160.0
[M+NH4]+	235.11895	154.0
[M+K]+	256.04829	156.4
[M-H]-	216.07785	148.4
[M+Na-2H]-	238.05980	154.6
[M]+	217.08458	149.3
[M]-	217.08568	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe