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]+ 249.126736 160.1
[M+Na]+ 271.108678 163.6
[M-H]- 247.112184 160.6
[M+NH4]+ 266.153283 177.3
[M+K]+ 287.082618 163.7
[M+H-H2O]+ 231.116720 153.1
[M+HCOO]- 293.117661 176.7
[M+CH3COO]- 307.133311 200.3
[M+Na-2H]- 269.094126 157.2
[M]+ 248.11891142 164.1
[M]- 248.12000858 164.1
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.