CID 753546

102248-96-4

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC1=NC(=C2C(=N1)OC(=N2)C)N[C@@H](C)C(=O)O
InChI
InChI=1S/C10H12N4O3/c1-4(10(15)16)11-8-7-9(13-5(2)12-8)17-6(3)14-7/h4H,1-3H3,(H,15,16)(H,11,12,13)/t4-/m0/s1
InChIKey
XTRGZFPYBZDSAM-BYPYZUCNSA-N
Compound name
(2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 151.3
[M+Na]+ 259.08016 161.6
[M-H]- 235.08366 152.6
[M+NH4]+ 254.12476 166.0
[M+K]+ 275.05410 160.2
[M+H-H2O]+ 219.08820 143.6
[M+HCOO]- 281.08914 171.0
[M+CH3COO]- 295.10479 193.0
[M+Na-2H]- 257.06561 156.5
[M]+ 236.09039 155.6
[M]- 236.09149 155.6
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.