CID 3038837

Thiazolidine, 3-(2-(heptylthio)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C12H25NS2
SMILES
CCCCCCCSCCN1CCSC1
InChI
InChI=1S/C12H25NS2/c1-2-3-4-5-6-9-14-10-7-13-8-11-15-12-13/h2-12H2,1H3
InChIKey
UPFCWNBHGJODHV-UHFFFAOYSA-N
Compound name
3-(2-heptylsulfanylethyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14284 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15012 157.0
[M+Na]+ 270.13206 162.0
[M-H]- 246.13556 157.8
[M+NH4]+ 265.17666 175.8
[M+K]+ 286.10600 158.2
[M+H-H2O]+ 230.14010 150.4
[M+HCOO]- 292.14104 166.5
[M+CH3COO]- 306.15669 192.5
[M+Na-2H]- 268.11751 153.6
[M]+ 247.14229 159.7
[M]- 247.14339 159.7
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.