CID 28412

1-(2-(6-bromo-1,3-dioxol-5-yl)ethyl)guanidine hydrobromide

Structural Information

Molecular Formula
C10H12BrN3O2
SMILES
C1OC2=C(O1)C=C(C(=C2)CCN=C(N)N)Br
InChI
InChI=1S/C10H12BrN3O2/c11-7-4-9-8(15-5-16-9)3-6(7)1-2-14-10(12)13/h3-4H,1-2,5H2,(H4,12,13,14)
InChIKey
JCAIYCAYNXTDLF-UHFFFAOYSA-N
Compound name
2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0113 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01858 160.2
[M+Na]+ 308.00052 169.8
[M-H]- 284.00402 168.4
[M+NH4]+ 303.04512 178.8
[M+K]+ 323.97446 160.4
[M+H-H2O]+ 268.00856 158.0
[M+HCOO]- 330.00950 181.5
[M+CH3COO]- 344.02515 203.5
[M+Na-2H]- 305.98597 166.2
[M]+ 285.01075 177.8
[M]- 285.01185 177.8
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.