CID 31491

Ll 1418

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C(C(=N)N)O
InChI
InChI=1S/C9H10N2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,12H,4H2,(H3,10,11)
InChIKey
DPOREOOGDLINFI-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-2-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

194.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 141.1
[M+Na]+ 217.05836 149.6
[M+NH4]+ 212.10296 148.2
[M+K]+ 233.03230 148.8
[M-H]- 193.06186 144.8
[M+Na-2H]- 215.04381 143.3
[M]+ 194.06859 142.9
[M]- 194.06969 142.9
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