CID 23437571

Allyl cysteine

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C=CCNC(CS)C(=O)O
InChI
InChI=1S/C6H11NO2S/c1-2-3-7-5(4-10)6(8)9/h2,5,7,10H,1,3-4H2,(H,8,9)
InChIKey
AMPHKYRLSOPVBX-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

263
References

611
Patents

161.05106 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 135.5
[M+Na]+ 184.04028 142.8
[M+NH4]+ 179.08488 142.2
[M+K]+ 200.01422 137.1
[M-H]- 160.04378 133.9
[M+Na-2H]- 182.02573 136.8
[M]+ 161.05051 136.1
[M]- 161.05161 136.1
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