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 167.0
[M+Na]+ 302.15490 173.9
[M-H]- 278.15840 172.1
[M+NH4]+ 297.19950 184.7
[M+K]+ 318.12884 169.8
[M+H-H2O]+ 262.16294 159.7
[M+HCOO]- 324.16388 182.6
[M+CH3COO]- 338.17953 200.3
[M+Na-2H]- 300.14035 164.3
[M]+ 279.16513 170.3
[M]- 279.16623 170.3
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.