CID 155858348

2580223-11-4

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCOC(=O)CCCCCC1=CSC(=N1)N
InChI
InChI=1S/C11H18N2O2S/c1-2-15-10(14)7-5-3-4-6-9-8-16-11(12)13-9/h8H,2-7H2,1H3,(H2,12,13)
InChIKey
RLDRCMMPUVBVSO-UHFFFAOYSA-N
Compound name
ethyl 6-(2-amino-1,3-thiazol-4-yl)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 156.8
[M+Na]+ 265.09812 165.0
[M+NH4]+ 260.14272 163.6
[M+K]+ 281.07206 159.4
[M-H]- 241.10162 157.1
[M+Na-2H]- 263.08357 159.3
[M]+ 242.10835 158.1
[M]- 242.10945 158.1
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.