CID 69480

Ethyl azidoacetate

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CCOC(=O)CN=[N+]=[N-]
InChI
InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
InChIKey
HVJJYOAPXBPQQV-UHFFFAOYSA-N
Compound name
ethyl 2-azidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2059
Patents

129.05383 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 122.8
[M+Na]+ 152.04305 129.8
[M-H]- 128.04655 126.1
[M+NH4]+ 147.08765 144.9
[M+K]+ 168.01699 126.8
[M+H-H2O]+ 112.05109 121.9
[M+HCOO]- 174.05203 153.8
[M+CH3COO]- 188.06768 174.1
[M+Na-2H]- 150.02850 133.0
[M]+ 129.05328 122.7
[M]- 129.05438 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe