CID 3087733

2-phenyl-2-propylthiazolidine

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]+ 208.11545 146.3
[M+Na]+ 230.09739 153.0
[M-H]- 206.10089 150.0
[M+NH4]+ 225.14199 167.4
[M+K]+ 246.07133 148.8
[M+H-H2O]+ 190.10543 140.1
[M+HCOO]- 252.10637 161.7
[M+CH3COO]- 266.12202 158.2
[M+Na-2H]- 228.08284 148.5
[M]+ 207.10762 144.1
[M]- 207.10872 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.