CID 3046197

S-(n,n-dipropylcarbamoyl)cysteine

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CCCN(CCC)C(=O)OC(=O)[C@H](CS)N
InChI
InChI=1S/C10H20N2O3S/c1-3-5-12(6-4-2)10(14)15-9(13)8(11)7-16/h8,16H,3-7,11H2,1-2H3/t8-/m0/s1
InChIKey
NFLBLAAELUQFGB-QMMMGPOBSA-N
Compound name
dipropylcarbamoyl (2R)-2-amino-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11946 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12674 159.4
[M+Na]+ 271.10868 164.3
[M+NH4]+ 266.15328 164.7
[M+K]+ 287.08262 159.9
[M-H]- 247.11218 157.8
[M+Na-2H]- 269.09413 159.2
[M]+ 248.11891 159.5
[M]- 248.12001 159.5
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.