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]+ 210.08733 144.6
[M+Na]+ 232.06927 153.8
[M-H]- 208.07277 144.1
[M+NH4]+ 227.11387 161.8
[M+K]+ 248.04321 151.3
[M+H-H2O]+ 192.07731 137.5
[M+HCOO]- 254.07825 161.4
[M+CH3COO]- 268.09390 184.0
[M+Na-2H]- 230.05472 147.6
[M]+ 209.07950 144.4
[M]- 209.08060 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.