CID 3837306

(2,3-dihydro-1,4-benzodioxin-6-yl)urea

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)N
InChI
InChI=1S/C9H10N2O3/c10-9(12)11-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H3,10,11,12)
InChIKey
KMJYTNSDHAFJCK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

194.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.3
[M+Na]+ 217.05836 145.5
[M-H]- 193.06186 144.5
[M+NH4]+ 212.10296 156.0
[M+K]+ 233.03230 146.1
[M+H-H2O]+ 177.06640 132.6
[M+HCOO]- 239.06734 160.3
[M+CH3COO]- 253.08299 185.8
[M+Na-2H]- 215.04381 148.2
[M]+ 194.06859 137.3
[M]- 194.06969 137.3
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