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]+ 286.216536 174.9
[M+Na]+ 308.198478 183.2
[M-H]- 284.201984 180.0
[M+NH4]+ 303.243083 189.3
[M+K]+ 324.172418 178.4
[M+H-H2O]+ 268.206520 166.6
[M+HCOO]- 330.207461 188.1
[M+CH3COO]- 344.223111 184.6
[M+Na-2H]- 306.183926 178.5
[M]+ 285.20871142 176.3
[M]- 285.20980858 176.3
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.