CID 129651610

Carboxypropyl-cysteine

Structural Information

Molecular Formula
C7H13NO4S
SMILES
C(CC(=O)O)CN[C@@H](CS)C(=O)O
InChI
InChI=1S/C7H13NO4S/c9-6(10)2-1-3-8-5(4-13)7(11)12/h5,8,13H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
HEKRYQFXPLWAOP-YFKPBYRVSA-N
Compound name
4-[[(1R)-1-carboxy-2-sulfanylethyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 145.2
[M+Na]+ 230.045748 149.4
[M-H]- 206.049254 142.2
[M+NH4]+ 225.090353 162.2
[M+K]+ 246.019688 147.8
[M+H-H2O]+ 190.053790 139.5
[M+HCOO]- 252.054731 159.1
[M+CH3COO]- 266.070381 182.6
[M+Na-2H]- 228.031196 144.3
[M]+ 207.05598142 146.5
[M]- 207.05707858 146.5
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

No patent data available for this compound.