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

169
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

literature stripe

Patent stripe

patents stripe