CID 20887728

931346-52-0

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CC1=NN2CCC(=O)N(C2=C1)CC(=O)O
InChI
InChI=1S/C9H11N3O3/c1-6-4-7-11(5-9(14)15)8(13)2-3-12(7)10-6/h4H,2-3,5H2,1H3,(H,14,15)
InChIKey
WADVQDFAXHNQJQ-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 144.6
[M+Na]+ 232.069268 153.8
[M-H]- 208.072774 144.1
[M+NH4]+ 227.113873 161.8
[M+K]+ 248.043208 151.3
[M+H-H2O]+ 192.077310 137.5
[M+HCOO]- 254.078251 161.4
[M+CH3COO]- 268.093901 184.0
[M+Na-2H]- 230.054716 147.6
[M]+ 209.07950142 144.4
[M]- 209.08059858 144.4
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

No patent data available for this compound.