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
5
Annotation Hits

0
References

37
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 174.5
[M+Na]+ 320.16546 180.0
[M-H]- 296.16896 175.9
[M+NH4]+ 315.21006 191.1
[M+K]+ 336.13940 176.6
[M+H-H2O]+ 280.17350 167.0
[M+HCOO]- 342.17444 190.6
[M+CH3COO]- 356.19009 203.1
[M+Na-2H]- 318.15091 171.5
[M]+ 297.17569 182.3
[M]- 297.17679 182.3
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

patents stripe