CID 44182035

2-(4-methyl-5-thiazolyl)ethyl decanoate

Structural Information

Molecular Formula
C16H27NO2S
SMILES
CCCCCCCCCC(=O)OCCC1=C(N=CS1)C
InChI
InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
InChIKey
RUOLKIITSCGKJQ-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

34
Patents

297.17624 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18352 175.0
[M+Na]+ 320.16546 183.8
[M+NH4]+ 315.21006 181.6
[M+K]+ 336.13940 176.4
[M-H]- 296.16896 175.1
[M+Na-2H]- 318.15091 176.9
[M]+ 297.17569 176.5
[M]- 297.17679 176.5
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

patents stripe