CID 139026495

Ethyl 2-(2-azido-1,3-thiazol-4-yl)acetate

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CCOC(=O)CC1=CSC(=N1)N=[N+]=[N-]
InChI
InChI=1S/C7H8N4O2S/c1-2-13-6(12)3-5-4-14-7(9-5)10-11-8/h4H,2-3H2,1H3
InChIKey
QPJOTNWOMGPRMG-UHFFFAOYSA-N
Compound name
ethyl 2-(2-azido-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.044076 142.8
[M+Na]+ 235.026018 150.3
[M-H]- 211.029524 148.3
[M+NH4]+ 230.070623 162.4
[M+K]+ 250.999958 144.5
[M+H-H2O]+ 195.034060 139.6
[M+HCOO]- 257.035001 168.3
[M+CH3COO]- 271.050651 186.1
[M+Na-2H]- 233.011466 148.8
[M]+ 212.03625142 144.2
[M]- 212.03734858 144.2
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.