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 165.9
[M+Na]+ 299.10360 168.6
[M-H]- 275.10710 165.1
[M+NH4]+ 294.14820 181.3
[M+K]+ 315.07754 167.8
[M+H-H2O]+ 259.11164 158.7
[M+HCOO]- 321.11258 181.7
[M+CH3COO]- 335.12823 202.6
[M+Na-2H]- 297.08905 163.3
[M]+ 276.11383 170.1
[M]- 276.11493 170.1
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.