CID 3052712

69226-55-7

Structural Information

Molecular Formula
C14H27NS
SMILES
CC(CCCN1CCSC1)C2CCCCC2
InChI
InChI=1S/C14H27NS/c1-13(14-7-3-2-4-8-14)6-5-9-15-10-11-16-12-15/h13-14H,2-12H2,1H3
InChIKey
DLBMRACTWODKGW-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylpentyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.18642 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19370 161.0
[M+Na]+ 264.17564 162.7
[M-H]- 240.17914 164.2
[M+NH4]+ 259.22024 179.0
[M+K]+ 280.14958 160.1
[M+H-H2O]+ 224.18368 153.5
[M+HCOO]- 286.18462 171.6
[M+CH3COO]- 300.20027 191.1
[M+Na-2H]- 262.16109 157.1
[M]+ 241.18587 156.1
[M]- 241.18697 156.1
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.