CID 3059567

76777-11-2

Structural Information

Molecular Formula
C14H19NO
SMILES
CN1CCCC2CC1C3=C2C=C(C=C3)OC
InChI
InChI=1S/C14H19NO/c1-15-7-3-4-10-8-14(15)12-6-5-11(16-2)9-13(10)12/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKey
INLXGNMYXKPYGX-UHFFFAOYSA-N
Compound name
4-methoxy-9-methyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 147.9
[M+Na]+ 240.135888 154.9
[M-H]- 216.139394 151.9
[M+NH4]+ 235.180493 168.9
[M+K]+ 256.109828 154.1
[M+H-H2O]+ 200.143930 143.0
[M+HCOO]- 262.144871 165.3
[M+CH3COO]- 276.160521 159.9
[M+Na-2H]- 238.121336 152.5
[M]+ 217.14612142 145.6
[M]- 217.14721858 145.6
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.