CID 701825

81595-00-8

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O

InChI

InChI=1S/C10H10N4O2/c1-7-2-4-8(5-3-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)

InChIKey

QBJSWVLDHWIJDK-UHFFFAOYSA-N

Compound name

2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 1.8
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]+	219.08765	147.3
[M+Na]+	241.06959	160.0
[M+NH4]+	236.11419	153.0
[M+K]+	257.04353	157.2
[M-H]-	217.07309	147.3
[M+Na-2H]-	239.05504	153.9
[M]+	218.07982	148.8
[M]-	218.08092	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.