CID 83814622

1216033-28-1

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=NC(=NC=C1C(=O)O)CO
InChI
InChI=1S/C7H8N2O3/c1-4-5(7(11)12)2-8-6(3-10)9-4/h2,10H,3H2,1H3,(H,11,12)
InChIKey
CAHATRZGDOVAAU-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.9
[M+Na]+ 191.042718 142.1
[M-H]- 167.046224 131.8
[M+NH4]+ 186.087323 149.6
[M+K]+ 207.016658 140.0
[M+H-H2O]+ 151.050760 126.4
[M+HCOO]- 213.051701 152.3
[M+CH3COO]- 227.067351 173.9
[M+Na-2H]- 189.028166 138.5
[M]+ 168.05295142 133.1
[M]- 168.05404858 133.1
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.