CID 13718040

1-aci-nitro-2-phenylethane

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C=C1)C/C=[N+](/O)\[O-]
InChI
InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
InChIKey
KUPCZGVUUHIRGX-UHFFFAOYSA-N
Compound name
N-hydroxy-2-phenylethanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.6
[M+Na]+ 174.052538 136.0
[M-H]- 150.056044 131.9
[M+NH4]+ 169.097143 149.3
[M+K]+ 190.026478 129.8
[M+H-H2O]+ 134.060580 128.9
[M+HCOO]- 196.061521 154.3
[M+CH3COO]- 210.077171 166.2
[M+Na-2H]- 172.037986 138.5
[M]+ 151.06277142 126.2
[M]- 151.06386858 126.2
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.