CID 1415534

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

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=CC(=NN1)CC(=O)O
InChI
InChI=1S/C6H8N2O2/c1-4-2-5(8-7-4)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)
InChIKey
XSRSEEZCZRABDP-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-pyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

140.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 127.6
[M+Na]+ 163.047798 136.2
[M-H]- 139.051304 126.3
[M+NH4]+ 158.092403 147.0
[M+K]+ 179.021738 134.2
[M+H-H2O]+ 123.055840 121.4
[M+HCOO]- 185.056781 147.9
[M+CH3COO]- 199.072431 167.6
[M+Na-2H]- 161.033246 132.0
[M]+ 140.05803142 126.2
[M]- 140.05912858 126.2
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