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]+ 280.172956 167.0
[M+Na]+ 302.154898 173.9
[M-H]- 278.158404 172.1
[M+NH4]+ 297.199503 184.7
[M+K]+ 318.128838 169.8
[M+H-H2O]+ 262.162940 159.7
[M+HCOO]- 324.163881 182.6
[M+CH3COO]- 338.179531 200.3
[M+Na-2H]- 300.140346 164.3
[M]+ 279.16513142 170.3
[M]- 279.16622858 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.