CID 17589

Diazoacetone

Structural Information

Molecular Formula
C3H4N2O
SMILES
CC(=O)C=[N+]=[N-]
InChI
InChI=1S/C3H4N2O/c1-3(6)2-5-4/h2H,1H3
InChIKey
CREBLIJIJKVBCB-UHFFFAOYSA-N
Compound name
1-diazopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

219
Patents

84.032364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 111.8
[M+Na]+ 107.02158 119.8
[M-H]- 83.025088 114.1
[M+NH4]+ 102.06619 135.4
[M+K]+ 122.99552 115.8
[M+H-H2O]+ 67.029624 112.2
[M+HCOO]- 129.03056 140.5
[M+CH3COO]- 143.04622 162.1
[M+Na-2H]- 105.00703 121.7
[M]+ 84.031815 109.0
[M]- 84.032913 109.0
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.