CID 3059569

76777-19-0

Structural Information

Molecular Formula
C18H25NO
SMILES
CC(=CCN1CCCC2CC1C3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C18H25NO/c1-13(2)8-10-19-9-4-5-14-11-18(19)16-7-6-15(20-3)12-17(14)16/h6-8,12,14,18H,4-5,9-11H2,1-3H3
InChIKey
VMPZFTMHWYEODD-UHFFFAOYSA-N
Compound name
4-methoxy-9-(3-methylbut-2-enyl)-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

271.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 165.2
[M+Na]+ 294.18282 170.6
[M-H]- 270.18632 168.6
[M+NH4]+ 289.22742 184.0
[M+K]+ 310.15676 168.9
[M+H-H2O]+ 254.19086 159.9
[M+HCOO]- 316.19180 180.4
[M+CH3COO]- 330.20745 175.5
[M+Na-2H]- 292.16827 166.6
[M]+ 271.19305 162.8
[M]- 271.19415 162.8
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.