CID 3051188

67293-81-6

Structural Information

Molecular Formula
C12H15NO
SMILES
CN1CC2CC(C1)OC3=CC=CC=C23
InChI
InChI=1S/C12H15NO/c1-13-7-9-6-10(8-13)14-12-5-3-2-4-11(9)12/h2-5,9-10H,6-8H2,1H3
InChIKey
UFYJHAWVSCNDFY-UHFFFAOYSA-N
Compound name
11-methyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 139.0
[M+Na]+ 212.10459 146.1
[M-H]- 188.10809 141.5
[M+NH4]+ 207.14919 158.7
[M+K]+ 228.07853 144.0
[M+H-H2O]+ 172.11263 131.9
[M+HCOO]- 234.11357 154.2
[M+CH3COO]- 248.12922 151.2
[M+Na-2H]- 210.09004 148.1
[M]+ 189.11482 136.8
[M]- 189.11592 136.8
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.