CID 46936210

Structural Information

Molecular Formula
C3H6NO4S
SMILES
C([C@@H](C(=O)O)N)[S](=O)=O
InChI
InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
GEAMCHVNTOUKJC-REOHCLBHSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.00175 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00903 129.0
[M+Na]+ 174.99097 135.3
[M+NH4]+ 170.03557 134.4
[M+K]+ 190.96491 132.3
[M-H]- 150.99447 125.7
[M+Na-2H]- 172.97642 129.1
[M]+ 152.00120 128.7
[M]- 152.00230 128.7
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.