CID 28406

Hemisulfate de (guanidino 2' ethanol 1') 5 benzodioxole [french]

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)C(CN=C(N)N)O
InChI
InChI=1S/C10H13N3O3/c11-10(12)13-4-7(14)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,14H,4-5H2,(H4,11,12,13)
InChIKey
JMRXCTMIRRZNQC-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 149.1
[M+Na]+ 246.084908 154.4
[M-H]- 222.088414 153.8
[M+NH4]+ 241.129513 165.7
[M+K]+ 262.058848 154.8
[M+H-H2O]+ 206.092950 142.5
[M+HCOO]- 268.093891 171.1
[M+CH3COO]- 282.109541 194.1
[M+Na-2H]- 244.070356 154.2
[M]+ 223.09514142 147.2
[M]- 223.09623858 147.2
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.