CID 1549098

L-cysteinesulfinic acid

Structural Information

Molecular Formula
C3H7NO4S
SMILES
C([C@@H](C(=O)O)N)S(=O)O
InChI
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey
ADVPTQAUNPRNPO-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-sulfinopropanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

347
References

2576
Patents

153.00958 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.016856 128.3
[M+Na]+ 175.998798 134.2
[M-H]- 152.002304 125.5
[M+NH4]+ 171.043403 147.2
[M+K]+ 191.972738 133.2
[M+H-H2O]+ 136.006840 123.3
[M+HCOO]- 198.007781 142.8
[M+CH3COO]- 212.023431 170.2
[M+Na-2H]- 173.984246 128.1
[M]+ 153.00903142 127.1
[M]- 153.01012858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe