CID 2892535

22307-40-0

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CC(C(=O)O)N1N=C(N=N1)C2=CC=CC=C2

InChI

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

InChIKey

ROBHCGWFDVKHQR-UHFFFAOYSA-N

Compound name

2-(5-phenyltetrazol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 1.9
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	146.5
[M+Na]+	241.06959	154.8
[M-H]-	217.07309	147.1
[M+NH4]+	236.11419	160.1
[M+K]+	257.04353	152.0
[M+H-H2O]+	201.07763	137.1
[M+HCOO]-	263.07857	164.7
[M+CH3COO]-	277.09422	184.7
[M+Na-2H]-	239.05504	150.5
[M]+	218.07982	146.4
[M]-	218.08092	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe