CID 3087207

Brn 5570641

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
CCOC(=O)C1CCC(=N1)NC(CS)C(=O)O
InChI
InChI=1S/C10H16N2O4S/c1-2-16-10(15)6-3-4-8(11-6)12-7(5-17)9(13)14/h6-7,17H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKey
SWNGGCWRPBOORI-UHFFFAOYSA-N
Compound name
2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.08307 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 159.5
[M+Na]+ 283.07229 164.9
[M+NH4]+ 278.11689 164.4
[M+K]+ 299.04623 162.6
[M-H]- 259.07579 157.4
[M+Na-2H]- 281.05774 159.6
[M]+ 260.08252 159.4
[M]- 260.08362 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.