CID 2819228

852691-00-0

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1COC(O1)C2=CC=C(C=C2)C(=NO)N
InChI
InChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12)
InChIKey
ALLSEOFWLPSQKK-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

208.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 144.9
[M+Na]+ 231.074018 150.3
[M-H]- 207.077524 152.3
[M+NH4]+ 226.118623 161.6
[M+K]+ 247.047958 150.7
[M+H-H2O]+ 191.082060 138.1
[M+HCOO]- 253.083001 167.8
[M+CH3COO]- 267.098651 186.9
[M+Na-2H]- 229.059466 150.2
[M]+ 208.08425142 142.6
[M]- 208.08534858 142.6
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