CID 1503476

870704-28-2

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)C1=C(C=NN1)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-4(2)6-5(7(10)11)3-8-9-6/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
SWNONMWOFAXQHM-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 132.4
[M+Na]+ 177.063448 140.3
[M-H]- 153.066954 131.0
[M+NH4]+ 172.108053 151.2
[M+K]+ 193.037388 138.5
[M+H-H2O]+ 137.071490 126.1
[M+HCOO]- 199.072431 151.3
[M+CH3COO]- 213.088081 171.6
[M+Na-2H]- 175.048896 135.0
[M]+ 154.07368142 130.7
[M]- 154.07477858 130.7
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

patents stripe