CID 480014

N-formyl-s-ethyl-l-cysteine

Structural Information

Molecular Formula
C6H11NO3S
SMILES
CCSC[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C6H11NO3S/c1-2-11-3-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKey
OQULFCDITDBJQG-YFKPBYRVSA-N
Compound name
(2R)-3-ethylsulfanyl-2-formamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 137.2
[M+Na]+ 200.03518 142.8
[M-H]- 176.03868 136.0
[M+NH4]+ 195.07978 156.4
[M+K]+ 216.00912 141.4
[M+H-H2O]+ 160.04322 131.7
[M+HCOO]- 222.04416 153.9
[M+CH3COO]- 236.05981 179.1
[M+Na-2H]- 198.02063 138.3
[M]+ 177.04541 139.3
[M]- 177.04651 139.3
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.