CID 5324611

Benzaldoxime

Structural Information

Molecular Formula
C7H7NO
SMILES
C1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
InChIKey
VTWKXBJHBHYJBI-SOFGYWHQSA-N
Compound name
(NE)-N-benzylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2684
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 120.6
[M+Na]+ 144.04198 128.4
[M-H]- 120.04549 124.6
[M+NH4]+ 139.08659 142.7
[M+K]+ 160.01592 126.9
[M+H-H2O]+ 104.05002 115.1
[M+HCOO]- 166.05097 147.4
[M+CH3COO]- 180.06662 170.5
[M+Na-2H]- 142.02743 130.3
[M]+ 121.05222 119.7
[M]- 121.05331 119.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.