CID 25200705

6-[2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid

Structural Information

Molecular Formula
C10H18N2O3S
SMILES
C(CCC1C(NC(=O)N1)CS)CCC(=O)O
InChI
InChI=1S/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)
InChIKey
ZARFDBYKHCOTRH-UHFFFAOYSA-N
Compound name
6-[2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.10382 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11110 158.9
[M+Na]+ 269.09304 164.9
[M+NH4]+ 264.13764 163.5
[M+K]+ 285.06698 161.2
[M-H]- 245.09654 155.6
[M+Na-2H]- 267.07849 157.4
[M]+ 246.10327 158.6
[M]- 246.10437 158.6
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.