CID 135403494

66902-63-4

Structural Information

Molecular Formula
C6H7N3O3S
SMILES
C1=C(N=C(NC1=O)SCC(=O)O)N
InChI
InChI=1S/C6H7N3O3S/c7-3-1-4(10)9-6(8-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H3,7,8,9,10)
InChIKey
JIGSQJLRVOGEGH-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.02081 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02809 139.9
[M+Na]+ 224.01003 149.6
[M+NH4]+ 219.05463 145.4
[M+K]+ 239.98397 144.6
[M-H]- 200.01353 138.7
[M+Na-2H]- 221.99548 143.1
[M]+ 201.02026 140.9
[M]- 201.02136 140.9
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.