CID 72886

L-cysteic acid

Structural Information

Molecular Formula
C3H7NO5S
SMILES
C([C@@H](C(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
XVOYSCVBGLVSOL-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-sulfopropanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

330
References

29993
Patents

169.00449 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011766 130.1
[M+Na]+ 191.993708 136.6
[M-H]- 167.997214 127.3
[M+NH4]+ 187.038313 148.4
[M+K]+ 207.967648 135.4
[M+H-H2O]+ 152.001750 125.5
[M+HCOO]- 214.002691 144.6
[M+CH3COO]- 228.018341 170.9
[M+Na-2H]- 189.979156 132.2
[M]+ 169.00394142 129.7
[M]- 169.00503858 129.7
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