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]+ 238.11862 153.8
[M+Na]+ 260.10056 157.9
[M-H]- 236.10406 158.0
[M+NH4]+ 255.14516 168.0
[M+K]+ 276.07450 158.2
[M+H-H2O]+ 220.10860 146.3
[M+HCOO]- 282.10954 173.3
[M+CH3COO]- 296.12519 197.8
[M+Na-2H]- 258.08601 159.6
[M]+ 237.11079 150.1
[M]- 237.11189 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.