CID 64139929

Lithium(1+) 2-{[(tert-butoxy)carbonyl]amino}-3-{[2-(dimethylamino)ethyl]sulfanyl}propanoate

Structural Information

Molecular Formula
C12H24N2O4S
SMILES
CC(C)(C)OC(=O)NC(CSCCN(C)C)C(=O)O
InChI
InChI=1S/C12H24N2O4S/c1-12(2,3)18-11(17)13-9(10(15)16)8-19-7-6-14(4)5/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKey
QMFFRFJULKQHLD-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1457 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15298 170.7
[M+Na]+ 315.13492 173.1
[M-H]- 291.13842 170.0
[M+NH4]+ 310.17952 185.7
[M+K]+ 331.10886 173.2
[M+H-H2O]+ 275.14296 164.1
[M+HCOO]- 337.14390 184.6
[M+CH3COO]- 351.15955 206.8
[M+Na-2H]- 313.12037 168.8
[M]+ 292.14515 175.5
[M]- 292.14625 175.5
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.