CID 95280

Benzo[1,3]dioxole-5-carbaldehyde oxime

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1OC2=C(O1)C=C(C=C2)C=NO
InChI
InChI=1S/C8H7NO3/c10-9-4-6-1-2-7-8(3-6)12-5-11-7/h1-4,10H,5H2
InChIKey
VDAJDWUTRXNYMU-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

165.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.0
[M+Na]+ 188.031808 137.7
[M-H]- 164.035314 135.1
[M+NH4]+ 183.076413 149.6
[M+K]+ 204.005748 138.2
[M+H-H2O]+ 148.039850 123.9
[M+HCOO]- 210.040791 153.1
[M+CH3COO]- 224.056441 176.7
[M+Na-2H]- 186.017256 139.0
[M]+ 165.04204142 131.1
[M]- 165.04313858 131.1
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