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]+ 213.04408 142.7
[M+Na]+ 235.02602 152.6
[M+NH4]+ 230.07062 150.2
[M+K]+ 250.99996 149.1
[M-H]- 211.02952 146.0
[M+Na-2H]- 233.01147 147.7
[M]+ 212.03625 145.0
[M]- 212.03735 145.0
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.