CID 814994

180741-46-2

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=CC=NN1CCC(=O)O
InChI
InChI=1S/C7H10N2O2/c1-6-2-4-8-9(6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
InChIKey
AVWPEIKOPXXROD-UHFFFAOYSA-N
Compound name
3-(5-methylpyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

48
Patents

154.07423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 132.3
[M+Na]+ 177.06345 142.7
[M+NH4]+ 172.10805 138.9
[M+K]+ 193.03739 140.1
[M-H]- 153.06695 131.1
[M+Na-2H]- 175.04890 136.4
[M]+ 154.07368 133.0
[M]- 154.07478 133.0
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