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]+ 224.10297 150.2
[M+Na]+ 246.08491 157.4
[M+NH4]+ 241.12951 156.7
[M+K]+ 262.05885 156.6
[M-H]- 222.08841 154.3
[M+Na-2H]- 244.07036 151.9
[M]+ 223.09514 151.8
[M]- 223.09624 151.8
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.