CID 28408

1-(2-(1,3-benzodioxol-5-yl)ethyl)guanidine sulfate (2:1)

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1OC2=C(O1)C=C(C=C2)CCN=C(N)N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13-4-3-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)
InChIKey
POPLYGZZRBSLGK-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.10077 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.2
[M+Na]+ 230.08999 151.4
[M-H]- 206.09349 151.2
[M+NH4]+ 225.13459 163.4
[M+K]+ 246.06393 151.5
[M+H-H2O]+ 190.09803 138.5
[M+HCOO]- 252.09897 169.6
[M+CH3COO]- 266.11462 193.2
[M+Na-2H]- 228.07544 151.8
[M]+ 207.10022 144.3
[M]- 207.10132 144.3
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

patents stripe