CID 16227403

923138-37-8

Structural Information

Molecular Formula
C8H8N4O3
SMILES
CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)O
InChI
InChI=1S/C8H8N4O3/c1-11-7-5(2-10-11)8(15)12(4-9-7)3-6(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKey
XBLFBTFLTYLABI-UHFFFAOYSA-N
Compound name
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05965 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.066926 141.2
[M+Na]+ 231.048868 153.8
[M-H]- 207.052374 140.6
[M+NH4]+ 226.093473 157.3
[M+K]+ 247.022808 150.6
[M+H-H2O]+ 191.056910 133.4
[M+HCOO]- 253.057851 161.2
[M+CH3COO]- 267.073501 183.2
[M+Na-2H]- 229.034316 147.4
[M]+ 208.05910142 145.3
[M]- 208.06019858 145.3
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.