CID 217631

39057-16-4

Structural Information

Molecular Formula
C16H25NOS
SMILES
CC1=C(C(=C(C=C1)C)OCCCCN2CCSC2)C
InChI
InChI=1S/C16H25NOS/c1-13-6-7-14(2)16(15(13)3)18-10-5-4-8-17-9-11-19-12-17/h6-7H,4-5,8-12H2,1-3H3
InChIKey
BVZOCIKNALHXLO-UHFFFAOYSA-N
Compound name
3-[4-(2,3,6-trimethylphenoxy)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16568 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17296 167.8
[M+Na]+ 302.15490 179.4
[M+NH4]+ 297.19950 176.7
[M+K]+ 318.12884 171.1
[M-H]- 278.15840 171.6
[M+Na-2H]- 300.14035 172.9
[M]+ 279.16513 171.0
[M]- 279.16623 171.0
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.