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]+ 218.15395 147.9
[M+Na]+ 240.13589 154.9
[M-H]- 216.13939 151.9
[M+NH4]+ 235.18049 168.9
[M+K]+ 256.10983 154.1
[M+H-H2O]+ 200.14393 143.0
[M+HCOO]- 262.14487 165.3
[M+CH3COO]- 276.16052 159.9
[M+Na-2H]- 238.12134 152.5
[M]+ 217.14612 145.6
[M]- 217.14722 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.