CID 3163611

890624-34-7

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C10H12N4O2/c1-5-9(6(2)14(3)13-5)7-4-8(10(15)16)12-11-7/h4H,1-3H3,(H,11,12)(H,15,16)
InChIKey
VVLHPIDKUGTZRK-UHFFFAOYSA-N
Compound name
3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 147.4
[M+Na]+ 243.08524 159.1
[M-H]- 219.08874 148.4
[M+NH4]+ 238.12984 163.3
[M+K]+ 259.05918 155.3
[M+H-H2O]+ 203.09328 139.7
[M+HCOO]- 265.09422 167.3
[M+CH3COO]- 279.10987 185.0
[M+Na-2H]- 241.07069 148.1
[M]+ 220.09547 149.5
[M]- 220.09657 149.5
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.