CID 24274768

716361-89-6

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CCC1=C(N=NN1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H11N3O2/c1-2-9-10(11(15)16)12-13-14(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,15,16)

InChIKey

MLFWCOPIRKORMG-UHFFFAOYSA-N

Compound name

5-ethyl-1-phenyltriazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 217.08513 Da
Monoisotopic Mass: 2.0
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	160.4
[M+NH4]+	235.11895	154.0
[M+K]+	256.04829	157.0
[M-H]-	216.07785	148.4
[M+Na-2H]-	238.05980	154.4
[M]+	217.08458	149.4
[M]-	217.08568	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe