CID 218887

41288-00-0

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CC1=CN=C(C=C1)OCCCCCCN2CCSC2
InChI
InChI=1S/C15H24N2OS/c1-14-6-7-15(16-12-14)18-10-5-3-2-4-8-17-9-11-19-13-17/h6-7,12H,2-5,8-11,13H2,1H3
InChIKey
JGRGEOZEDPTOFB-UHFFFAOYSA-N
Compound name
3-[6-(5-methylpyridin-2-yl)oxyhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 166.5
[M+Na]+ 303.15017 172.1
[M-H]- 279.15367 169.6
[M+NH4]+ 298.19477 182.2
[M+K]+ 319.12411 168.2
[M+H-H2O]+ 263.15821 157.9
[M+HCOO]- 325.15915 181.2
[M+CH3COO]- 339.17480 197.8
[M+Na-2H]- 301.13562 165.5
[M]+ 280.16040 169.1
[M]- 280.16150 169.1
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.