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]+ 272.200876 165.2
[M+Na]+ 294.182818 170.6
[M-H]- 270.186324 168.6
[M+NH4]+ 289.227423 184.0
[M+K]+ 310.156758 168.9
[M+H-H2O]+ 254.190860 159.9
[M+HCOO]- 316.191801 180.4
[M+CH3COO]- 330.207451 175.5
[M+Na-2H]- 292.168266 166.6
[M]+ 271.19305142 162.8
[M]- 271.19414858 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.