CID 107137

3639-63-2

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)OC
InChI
InChI=1S/C19H27NO/c1-13-18-10-15-6-7-16(21-3)11-17(15)19(13,2)8-9-20(18)12-14-4-5-14/h6-7,11,13-14,18H,4-5,8-10,12H2,1-3H3
InChIKey
YWFCIOVAPJGIKT-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-4-methoxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 170.2
[M+Na]+ 308.19848 185.2
[M+NH4]+ 303.24308 182.4
[M+K]+ 324.17242 175.8
[M-H]- 284.20198 181.4
[M+Na-2H]- 306.18393 178.1
[M]+ 285.20871 177.0
[M]- 285.20981 177.0
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.