CID 416057

Nsc75516

Structural Information

Molecular Formula
C5H12N4O2
SMILES
C(/C=N/N=C(N)N)C(CO)O
InChI
InChI=1S/C5H12N4O2/c6-5(7)9-8-2-1-4(11)3-10/h2,4,10-11H,1,3H2,(H4,6,7,9)/b8-2+
InChIKey
HWSVZPWNSMFONU-KRXBUXKQSA-N
Compound name
2-[(E)-3,4-dihydroxybutylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.09602 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10330 133.5
[M+Na]+ 183.08524 137.8
[M-H]- 159.08874 132.8
[M+NH4]+ 178.12984 152.2
[M+K]+ 199.05918 137.9
[M+H-H2O]+ 143.09328 126.9
[M+HCOO]- 205.09422 159.2
[M+CH3COO]- 219.10987 185.8
[M+Na-2H]- 181.07069 137.2
[M]+ 160.09547 129.0
[M]- 160.09657 129.0
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.