CID 3045774

61098-79-1

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1C2(CCCC(C2)N1CC=C(C)C)C3=CC(=CC=C3)O
InChI
InChI=1S/C19H27NO/c1-14(2)9-11-20-15(3)19(10-5-7-17(20)13-19)16-6-4-8-18(21)12-16/h4,6,8-9,12,15,17,21H,5,7,10-11,13H2,1-3H3
InChIKey
NGMZYQVETZNREU-UHFFFAOYSA-N
Compound name
3-[7-methyl-6-(3-methylbut-2-enyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 172.7
[M+Na]+ 308.198478 178.2
[M-H]- 284.201984 175.3
[M+NH4]+ 303.243083 192.0
[M+K]+ 324.172418 172.7
[M+H-H2O]+ 268.206520 165.8
[M+HCOO]- 330.207461 186.5
[M+CH3COO]- 344.223111 201.5
[M+Na-2H]- 306.183926 172.6
[M]+ 285.20871142 169.3
[M]- 285.20980858 169.3
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.