CID 22855

S-2-aminoethyl-homocysteine monohydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C(CSCCN)[C@H](C(=O)O)N
InChI
InChI=1S/C6H14N2O2S/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
InChIKey
USMOWBVMWHEAKZ-RXMQYKEDSA-N
Compound name
(2R)-2-amino-4-(2-aminoethylsulfanyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

22
Patents

178.0776 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 138.8
[M+Na]+ 201.06682 144.2
[M+NH4]+ 196.11142 144.9
[M+K]+ 217.04076 139.5
[M-H]- 177.07032 137.3
[M+Na-2H]- 199.05227 139.1
[M]+ 178.07705 138.9
[M]- 178.07815 138.9
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

patents stripe