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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 150.9
[M+Na]+ 257.10090 162.6
[M-H]- 233.10440 153.1
[M+NH4]+ 252.14550 166.9
[M+K]+ 273.07484 159.4
[M+H-H2O]+ 217.10894 142.7
[M+HCOO]- 279.10988 172.0
[M+CH3COO]- 293.12553 190.3
[M+Na-2H]- 255.08635 151.5
[M]+ 234.11113 155.2
[M]- 234.11223 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.