CID 3087733

2-phenyl-2-propyl-1,3-thiazolidine

Structural Information

Molecular Formula
C12H17NS
SMILES
CCCC1(NCCS1)C2=CC=CC=C2
InChI
InChI=1S/C12H17NS/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
SXLITDTVXZWHGU-UHFFFAOYSA-N
Compound name
2-phenyl-2-propyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10817 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.115446 146.3
[M+Na]+ 230.097388 153.0
[M-H]- 206.100894 150.0
[M+NH4]+ 225.141993 167.4
[M+K]+ 246.071328 148.8
[M+H-H2O]+ 190.105430 140.1
[M+HCOO]- 252.106371 161.7
[M+CH3COO]- 266.122021 158.2
[M+Na-2H]- 228.082836 148.5
[M]+ 207.10762142 144.1
[M]- 207.10871858 144.1
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.