CID 6861467

Piperonaldoxime

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/O
InChI
InChI=1S/C8H7NO3/c10-9-4-6-1-2-7-8(3-6)12-5-11-7/h1-4,10H,5H2/b9-4+
InChIKey
VDAJDWUTRXNYMU-RUDMXATFSA-N
Compound name
(NE)-N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

165.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.0
[M+Na]+ 188.03181 137.7
[M-H]- 164.03531 135.1
[M+NH4]+ 183.07641 149.6
[M+K]+ 204.00575 138.2
[M+H-H2O]+ 148.03985 123.9
[M+HCOO]- 210.04079 153.1
[M+CH3COO]- 224.05644 176.7
[M+Na-2H]- 186.01726 139.0
[M]+ 165.04204 131.1
[M]- 165.04314 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