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]+ 203.11789 142.0
[M+Na]+ 225.09983 148.0
[M-H]- 201.10333 144.4
[M+NH4]+ 220.14443 161.7
[M+K]+ 241.07377 144.5
[M+H-H2O]+ 185.10787 134.5
[M+HCOO]- 247.10881 159.6
[M+CH3COO]- 261.12446 153.6
[M+Na-2H]- 223.08528 150.4
[M]+ 202.11006 137.8
[M]- 202.11116 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.