CID 40479774

1308995-19-8

Structural Information

Molecular Formula
C8H12N2O5S
SMILES
CC1=C(C(=NO1)C)S(=O)(=O)N[C@H](C)C(=O)O
InChI
InChI=1S/C8H12N2O5S/c1-4-7(6(3)15-9-4)16(13,14)10-5(2)8(11)12/h5,10H,1-3H3,(H,11,12)/t5-/m1/s1
InChIKey
WUEJTOKQYQKNEA-RXMQYKEDSA-N
Compound name
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04669 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05397 151.3
[M+Na]+ 271.03591 159.5
[M-H]- 247.03941 153.8
[M+NH4]+ 266.08051 167.2
[M+K]+ 287.00985 159.1
[M+H-H2O]+ 231.04395 145.7
[M+HCOO]- 293.04489 166.9
[M+CH3COO]- 307.06054 189.7
[M+Na-2H]- 269.02136 153.0
[M]+ 248.04614 156.0
[M]- 248.04724 156.0
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.