CID 45792133

Ethyl 4h,5h,6h,7h,8h-[1,3]thiazolo[5,4-b]azepine-2-carboxylate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCOC(=O)C1=NC2=C(S1)NCCCC2
InChI
InChI=1S/C10H14N2O2S/c1-2-14-10(13)9-12-7-5-3-4-6-11-8(7)15-9/h11H,2-6H2,1H3
InChIKey
ODLVDOFEZSYSGR-UHFFFAOYSA-N
Compound name
ethyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.0
[M+Na]+ 249.06682 153.1
[M-H]- 225.07032 149.5
[M+NH4]+ 244.11142 164.8
[M+K]+ 265.04076 154.2
[M+H-H2O]+ 209.07486 141.2
[M+HCOO]- 271.07580 160.0
[M+CH3COO]- 285.09145 158.4
[M+Na-2H]- 247.05227 148.4
[M]+ 226.07705 145.1
[M]- 226.07815 145.1
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.