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 149.1
[M+Na]+ 246.08491 154.4
[M-H]- 222.08841 153.8
[M+NH4]+ 241.12951 165.7
[M+K]+ 262.05885 154.8
[M+H-H2O]+ 206.09295 142.5
[M+HCOO]- 268.09389 171.1
[M+CH3COO]- 282.10954 194.1
[M+Na-2H]- 244.07036 154.2
[M]+ 223.09514 147.2
[M]- 223.09624 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.