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[3,4-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]+ 209.06693 141.2
[M+Na]+ 231.04887 153.8
[M-H]- 207.05237 140.6
[M+NH4]+ 226.09347 157.3
[M+K]+ 247.02281 150.6
[M+H-H2O]+ 191.05691 133.4
[M+HCOO]- 253.05785 161.2
[M+CH3COO]- 267.07350 183.2
[M+Na-2H]- 229.03432 147.4
[M]+ 208.05910 145.3
[M]- 208.06020 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.