CID 3064744

105522-99-4

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
CC1=C(SC2=NC=NC(=C12)N)CC(=O)O
InChI
InChI=1S/C9H9N3O2S/c1-4-5(2-6(13)14)15-9-7(4)8(10)11-3-12-9/h3H,2H2,1H3,(H,13,14)(H2,10,11,12)
InChIKey
PMMQVRUODMYPNN-UHFFFAOYSA-N
Compound name
2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04155 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04883 146.1
[M+Na]+ 246.03077 157.6
[M+NH4]+ 241.07537 153.4
[M+K]+ 262.00471 152.8
[M-H]- 222.03427 146.7
[M+Na-2H]- 244.01622 150.1
[M]+ 223.04100 148.1
[M]- 223.04210 148.1
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.