CID 210707

21533-14-2

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1COC2=C(O1)C=CC(=C2)C(CN=C(N)N)O
InChI
InChI=1S/C11H15N3O3/c12-11(13)14-6-8(15)7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5,8,15H,3-4,6H2,(H4,12,13,14)
InChIKey
BEFUWZDFOPULSH-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.118616 153.8
[M+Na]+ 260.100558 157.9
[M-H]- 236.104064 158.0
[M+NH4]+ 255.145163 168.0
[M+K]+ 276.074498 158.2
[M+H-H2O]+ 220.108600 146.3
[M+HCOO]- 282.109541 173.3
[M+CH3COO]- 296.125191 197.8
[M+Na-2H]- 258.086006 159.6
[M]+ 237.11079142 150.1
[M]- 237.11188858 150.1
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.