CID 115431

63975-61-1

Structural Information

Molecular Formula
C19H29NO
SMILES
CCCCCN1CCC2(C(C1CC3=C2C=C(C=C3)O)C)C
InChI
InChI=1S/C19H29NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h7-8,13-14,18,21H,4-6,9-12H2,1-3H3
InChIKey
XPPRDCVATUTJON-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-pentyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2249 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 173.1
[M+Na]+ 310.21412 185.6
[M+NH4]+ 305.25872 183.9
[M+K]+ 326.18806 174.7
[M-H]- 286.21762 175.3
[M+Na-2H]- 308.19957 176.5
[M]+ 287.22435 175.7
[M]- 287.22545 175.7
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.