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 174.9
[M+Na]+ 308.19848 183.2
[M-H]- 284.20198 180.0
[M+NH4]+ 303.24308 189.3
[M+K]+ 324.17242 178.4
[M+H-H2O]+ 268.20652 166.6
[M+HCOO]- 330.20746 188.1
[M+CH3COO]- 344.22311 184.6
[M+Na-2H]- 306.18393 178.5
[M]+ 285.20871 176.3
[M]- 285.20981 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.