CID 72884

1,2-diacetylhydrazine

Structural Information

Molecular Formula
C4H8N2O2
SMILES
CC(=O)NNC(=O)C
InChI
InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
InChIKey
ZLHNYIHIHQEHJQ-UHFFFAOYSA-N
Compound name
N'-acetylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

625
Patents

116.05858 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06586 122.5
[M+Na]+ 139.04780 129.1
[M-H]- 115.05130 123.3
[M+NH4]+ 134.09240 144.5
[M+K]+ 155.02174 130.0
[M+H-H2O]+ 99.055840 117.5
[M+HCOO]- 161.05678 147.9
[M+CH3COO]- 175.07243 172.6
[M+Na-2H]- 137.03325 128.4
[M]+ 116.05803 121.3
[M]- 116.05913 121.3
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