CID 28528

(guanidino 2 ethyl) 6 benzodioxanne 1,4 hemioxalate [french]

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1COC2=C(O1)C=CC(=C2)CCN=C(N)N
InChI
InChI=1S/C11H15N3O2/c12-11(13)14-4-3-8-1-2-9-10(7-8)16-6-5-15-9/h1-2,7H,3-6H2,(H4,12,13,14)
InChIKey
DZBRSRJDUKLCBT-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.1
[M+Na]+ 244.10564 155.0
[M-H]- 220.10914 155.6
[M+NH4]+ 239.15024 165.8
[M+K]+ 260.07958 155.0
[M+H-H2O]+ 204.11368 142.4
[M+HCOO]- 266.11462 171.9
[M+CH3COO]- 280.13027 196.8
[M+Na-2H]- 242.09109 157.5
[M]+ 221.11587 147.4
[M]- 221.11697 147.4
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