CID 43782

61772-64-3

Structural Information

Molecular Formula
C12H22N2O4S
SMILES
CCCN(CCC)C(=O)SC[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C12H22N2O4S/c1-4-6-14(7-5-2)12(18)19-8-10(11(16)17)13-9(3)15/h10H,4-8H2,1-3H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKey
FMFXLSORDBVQBX-JTQLQIEISA-N
Compound name
(2R)-2-acetamido-3-(dipropylcarbamoylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13004 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13732 169.9
[M+Na]+ 313.11926 173.3
[M+NH4]+ 308.16386 173.6
[M+K]+ 329.09320 169.8
[M-H]- 289.12276 166.7
[M+Na-2H]- 311.10471 168.2
[M]+ 290.12949 169.1
[M]- 290.13059 169.1
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.