CID 7131185

871497-68-6

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃

SMILES

C1=CC=C(C=C1)OCC2=NN(N=N2)CC(=O)O

InChI

InChI=1S/C10H10N4O3/c15-10(16)6-14-12-9(11-13-14)7-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)

InChIKey

ANHVHAOTEWUKQV-UHFFFAOYSA-N

Compound name

2-[5-(phenoxymethyl)tetrazol-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 234.07529 Da
Monoisotopic Mass: 1.3
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]+	235.082566	148.9
[M+Na]+	257.064508	157.3
[M-H]-	233.068014	149.3
[M+NH4]+	252.109113	161.8
[M+K]+	273.038448	154.5
[M+H-H2O]+	217.072550	139.1
[M+HCOO]-	279.073491	168.3
[M+CH3COO]-	293.089141	185.9
[M+Na-2H]-	255.049956	154.1
[M]+	234.07474142	150.7
[M]-	234.07583858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.