CID 23618202

S-(2-carboxyethyl)-l-cysteine

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C(CSC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
FBPINGSGHKXIQA-BYPYZUCNSA-N
Compound name
(2R)-2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

155
Patents

193.04088 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 141.1
[M+Na]+ 216.03010 145.7
[M-H]- 192.03360 137.8
[M+NH4]+ 211.07470 158.4
[M+K]+ 232.00404 144.0
[M+H-H2O]+ 176.03814 135.6
[M+HCOO]- 238.03908 154.8
[M+CH3COO]- 252.05473 179.1
[M+Na-2H]- 214.01555 139.6
[M]+ 193.04033 141.0
[M]- 193.04143 141.0
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