CID 15321738

2-(1,3-dimethyl-1h-pyrazol-5-yl)acetic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=NN(C(=C1)CC(=O)O)C
InChI
InChI=1S/C7H10N2O2/c1-5-3-6(4-7(10)11)9(2)8-5/h3H,4H2,1-2H3,(H,10,11)
InChIKey
VRKWDAAXELZWCK-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

154.07423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 130.7
[M+Na]+ 177.063448 140.3
[M-H]- 153.066954 131.0
[M+NH4]+ 172.108053 150.6
[M+K]+ 193.037388 138.9
[M+H-H2O]+ 137.071490 124.5
[M+HCOO]- 199.072431 152.2
[M+CH3COO]- 213.088081 174.4
[M+Na-2H]- 175.048896 134.4
[M]+ 154.07368142 132.0
[M]- 154.07477858 132.0
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