CID 135484775

1-[(e)-(3-allyl-2-hydroxy-phenyl)methyleneamino]-3-hydroxy-guanidine

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C=CCC1=C(C(=CC=C1)/C=N/N=C(\N)/NO)O
InChI
InChI=1S/C11H14N4O2/c1-2-4-8-5-3-6-9(10(8)16)7-13-14-11(12)15-17/h2-3,5-7,16-17H,1,4H2,(H3,12,14,15)/b13-7+
InChIKey
VVKDCAGLNBNUSB-NTUHNPAUSA-N
Compound name
1-hydroxy-2-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 151.6
[M+Na]+ 257.10090 157.2
[M-H]- 233.10440 155.0
[M+NH4]+ 252.14550 168.0
[M+K]+ 273.07484 154.4
[M+H-H2O]+ 217.10894 144.1
[M+HCOO]- 279.10988 178.9
[M+CH3COO]- 293.12553 200.0
[M+Na-2H]- 255.08635 156.2
[M]+ 234.11113 148.8
[M]- 234.11223 148.8
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.