CID 12143

Benzaldehyde oxime

Structural Information

Molecular Formula
C7H7NO
SMILES
C1=CC=C(C=C1)C=NO
InChI
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H
InChIKey
VTWKXBJHBHYJBI-UHFFFAOYSA-N
Compound name
N-benzylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5070
Patents

121.052765 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 122.1
[M+Na]+ 144.04198 134.8
[M+NH4]+ 139.08659 131.3
[M+K]+ 160.01592 128.0
[M-H]- 120.04549 125.1
[M+Na-2H]- 142.02743 130.6
[M]+ 121.05222 124.6
[M]- 121.05331 124.6
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