CID 11989381

Trans-s-(1-propenyl)-l-cysteine

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C/C=C/SC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1

InChIKey

HYGGRRPFVXHQQW-HRJJCQLASA-N

Compound name

(2R)-2-amino-3-[(E)-prop-1-enyl]sulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 137
Patents: 161.05106 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.05834	135.6
[M+Na]+	184.04028	142.6
[M+NH4]+	179.08488	142.2
[M+K]+	200.01422	137.2
[M-H]-	160.04378	133.8
[M+Na-2H]-	182.02573	136.4
[M]+	161.05051	136.0
[M]-	161.05161	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe