CID 43785

Brn 1984726

Structural Information

Molecular Formula
C11H20N2O4S
SMILES
CCCN(CCC)C(=O)SCC(=O)NCC(=O)O
InChI
InChI=1S/C11H20N2O4S/c1-3-5-13(6-4-2)11(17)18-8-9(14)12-7-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
LUXHVKBFHQZKRE-UHFFFAOYSA-N
Compound name
2-[[2-(dipropylcarbamoylsulfanyl)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12166 165.8
[M+Na]+ 299.10360 169.8
[M+NH4]+ 294.14820 169.8
[M+K]+ 315.07754 165.7
[M-H]- 275.10710 162.9
[M+Na-2H]- 297.08905 164.7
[M]+ 276.11383 165.3
[M]- 276.11493 165.3
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.