CID 12192

Ethyl diazoacetate

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CCOC(=O)C=[N+]=[N-]
InChI
InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
InChIKey
YVPJCJLMRRTDMQ-UHFFFAOYSA-N
Compound name
ethyl 2-diazoacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

133
References

11324
Patents

114.04293 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 119.9
[M+Na]+ 137.03215 127.6
[M-H]- 113.03565 122.0
[M+NH4]+ 132.07675 142.4
[M+K]+ 153.00609 123.7
[M+H-H2O]+ 97.040190 119.9
[M+HCOO]- 159.04113 148.6
[M+CH3COO]- 173.05678 166.4
[M+Na-2H]- 135.01760 129.4
[M]+ 114.04238 118.8
[M]- 114.04348 118.8
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.