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]+ 286.21654 172.7
[M+Na]+ 308.19848 178.2
[M-H]- 284.20198 175.3
[M+NH4]+ 303.24308 192.0
[M+K]+ 324.17242 172.7
[M+H-H2O]+ 268.20652 165.8
[M+HCOO]- 330.20746 186.5
[M+CH3COO]- 344.22311 201.5
[M+Na-2H]- 306.18393 172.6
[M]+ 285.20871 169.3
[M]- 285.20981 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.