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]+ 190.122646 139.0
[M+Na]+ 212.104588 146.1
[M-H]- 188.108094 141.5
[M+NH4]+ 207.149193 158.7
[M+K]+ 228.078528 144.0
[M+H-H2O]+ 172.112630 131.9
[M+HCOO]- 234.113571 154.2
[M+CH3COO]- 248.129221 151.2
[M+Na-2H]- 210.090036 148.1
[M]+ 189.11482142 136.8
[M]- 189.11591858 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.