CID 61794143

2-(1-methyl-1h-pyrazol-4-yl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.4
[M+Na]+ 177.06345 139.8
[M-H]- 153.06695 131.4
[M+NH4]+ 172.10805 150.9
[M+K]+ 193.03739 138.9
[M+H-H2O]+ 137.07149 124.9
[M+HCOO]- 199.07243 151.9
[M+CH3COO]- 213.08808 174.1
[M+Na-2H]- 175.04890 134.6
[M]+ 154.07368 131.7
[M]- 154.07478 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

No literature data available for this compound.

Patent stripe

patents stripe