CID 6485706

2-(5-methyl-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=CC=NN1C(C)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-5-3-4-8-9(5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)
InChIKey
CBZGESBWHSGWLK-UHFFFAOYSA-N
Compound name
2-(5-methylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

154.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 131.4
[M+Na]+ 177.063448 139.8
[M-H]- 153.066954 131.4
[M+NH4]+ 172.108053 150.9
[M+K]+ 193.037388 138.9
[M+H-H2O]+ 137.071490 124.9
[M+HCOO]- 199.072431 151.9
[M+CH3COO]- 213.088081 174.1
[M+Na-2H]- 175.048896 134.6
[M]+ 154.07368142 131.7
[M]- 154.07477858 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe