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

literature stripe

Patent stripe

patents stripe