CID 61405506

1293064-74-0

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

CCC1=NC=CN1C2=C(C(=NN2C)C)C(=O)O

InChI

InChI=1S/C11H14N4O2/c1-4-8-12-5-6-15(8)10-9(11(16)17)7(2)13-14(10)3/h5-6H,4H2,1-3H3,(H,16,17)

InChIKey

APHHENCGZSWPAP-UHFFFAOYSA-N

Compound name

5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.11168 Da
Monoisotopic Mass: 1.1
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]+	235.118956	150.9
[M+Na]+	257.100898	162.6
[M-H]-	233.104404	153.1
[M+NH4]+	252.145503	166.9
[M+K]+	273.074838	159.4
[M+H-H2O]+	217.108940	142.7
[M+HCOO]-	279.109881	172.0
[M+CH3COO]-	293.125531	190.3
[M+Na-2H]-	255.086346	151.5
[M]+	234.11113142	155.2
[M]-	234.11222858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.