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]+ 247.111096 157.4
[M+Na]+ 269.093038 163.0
[M-H]- 245.096544 153.7
[M+NH4]+ 264.137643 172.4
[M+K]+ 285.066978 158.6
[M+H-H2O]+ 229.101080 151.2
[M+HCOO]- 291.102021 167.1
[M+CH3COO]- 305.117671 184.3
[M+Na-2H]- 267.078486 153.7
[M]+ 246.10327142 156.2
[M]- 246.10436858 156.2
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.