CID 24688834

1016507-70-2

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC(C1=CC(=CC=C1)N2CCCS2(=O)=O)N
InChI
InChI=1S/C11H16N2O2S/c1-9(12)10-4-2-5-11(8-10)13-6-3-7-16(13,14)15/h2,4-5,8-9H,3,6-7,12H2,1H3
InChIKey
VOLCEGNUCYAADY-UHFFFAOYSA-N
Compound name
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 151.3
[M+Na]+ 263.08247 159.4
[M-H]- 239.08597 156.6
[M+NH4]+ 258.12707 171.3
[M+K]+ 279.05641 156.1
[M+H-H2O]+ 223.09051 145.2
[M+HCOO]- 285.09145 168.3
[M+CH3COO]- 299.10710 189.4
[M+Na-2H]- 261.06792 151.9
[M]+ 240.09270 150.5
[M]- 240.09380 150.5
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.