CID 99748

Benzeneacetaldehyde, oxime

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC=C(C=C1)CC=NO
InChI
InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2
InChIKey
CXISHLWVCSLKOJ-UHFFFAOYSA-N
Compound name
N-(2-phenylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

372
Patents

135.06842 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.3
[M+Na]+ 158.05764 132.6
[M-H]- 134.06114 129.0
[M+NH4]+ 153.10224 146.8
[M+K]+ 174.03158 130.9
[M+H-H2O]+ 118.06568 119.6
[M+HCOO]- 180.06662 151.7
[M+CH3COO]- 194.08227 173.5
[M+Na-2H]- 156.04309 134.4
[M]+ 135.06787 124.8
[M]- 135.06897 124.8
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