CID 28563

Guanidine, ((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1COC2=C(O1)C=CC(=C2)CN=C(N)N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H4,11,12,13)
InChIKey
WTDYJDLUNYALPM-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

212
Patents

207.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.4
[M+Na]+ 230.08999 150.8
[M-H]- 206.09349 151.1
[M+NH4]+ 225.13459 161.7
[M+K]+ 246.06393 151.1
[M+H-H2O]+ 190.09803 138.0
[M+HCOO]- 252.09897 167.6
[M+CH3COO]- 266.11462 193.7
[M+Na-2H]- 228.07544 153.4
[M]+ 207.10022 142.4
[M]- 207.10132 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe