CID 9573027

Valeric acid, 4-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]+ 173.103296 137.9
[M+Na]+ 195.085238 142.3
[M-H]- 171.088744 138.6
[M+NH4]+ 190.129843 156.6
[M+K]+ 211.059178 142.9
[M+H-H2O]+ 155.093280 131.1
[M+HCOO]- 217.094221 163.9
[M+CH3COO]- 231.109871 191.2
[M+Na-2H]- 193.070686 140.2
[M]+ 172.09547142 134.2
[M]- 172.09656858 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.