CID 5383245

1h,5h-benzo(ij)quinolizin-1-one, 2,3,6,7-tetrahydro-, oxime

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC2=C3C(=CC=C2)/C(=N/O)/CCN3C1
InChI
InChI=1S/C12H14N2O/c15-13-11-6-8-14-7-2-4-9-3-1-5-10(11)12(9)14/h1,3,5,15H,2,4,6-8H2/b13-11+
InChIKey
YGRYMADANYMNPI-ACCUITESSA-N
Compound name
(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 142.0
[M+Na]+ 225.099828 148.0
[M-H]- 201.103334 144.4
[M+NH4]+ 220.144433 161.7
[M+K]+ 241.073768 144.5
[M+H-H2O]+ 185.107870 134.5
[M+HCOO]- 247.108811 159.6
[M+CH3COO]- 261.124461 153.6
[M+Na-2H]- 223.085276 150.4
[M]+ 202.11006142 137.8
[M]- 202.11115858 137.8
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.