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]+ 208.06381 145.2
[M+Na]+ 230.04575 149.4
[M-H]- 206.04925 142.2
[M+NH4]+ 225.09035 162.2
[M+K]+ 246.01969 147.8
[M+H-H2O]+ 190.05379 139.5
[M+HCOO]- 252.05473 159.1
[M+CH3COO]- 266.07038 182.6
[M+Na-2H]- 228.03120 144.3
[M]+ 207.05598 146.5
[M]- 207.05708 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.