CID 9573027

Levulinic acid, amidinohydrazone, hydrochloride

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C/C(=N\N=C(N)N)/CCC(=O)O
InChI
InChI=1S/C6H12N4O2/c1-4(2-3-5(11)12)9-10-6(7)8/h2-3H2,1H3,(H,11,12)(H4,7,8,10)/b9-4+
InChIKey
GCTMBYBFFUEVMM-RUDMXATFSA-N
Compound name
(4E)-4-(diaminomethylidenehydrazinylidene)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.09602 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 137.9
[M+Na]+ 195.08524 142.3
[M-H]- 171.08874 138.6
[M+NH4]+ 190.12984 156.6
[M+K]+ 211.05918 142.9
[M+H-H2O]+ 155.09328 131.1
[M+HCOO]- 217.09422 163.9
[M+CH3COO]- 231.10987 191.2
[M+Na-2H]- 193.07069 140.2
[M]+ 172.09547 134.2
[M]- 172.09657 134.2
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.