CID 3045776

Endo-(+-)-3-(7-methyl-6-(2-propynyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C17H21NO
SMILES
CC1C2(CCCC(C2)N1CC#C)C3=CC(=CC=C3)O
InChI
InChI=1S/C17H21NO/c1-3-10-18-13(2)17(9-5-7-15(18)12-17)14-6-4-8-16(19)11-14/h1,4,6,8,11,13,15,19H,5,7,9-10,12H2,2H3
InChIKey
KPQQISFEFOUPIZ-UHFFFAOYSA-N
Compound name
3-(7-methyl-6-prop-2-ynyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 163.2
[M+Na]+ 278.15153 173.6
[M-H]- 254.15503 164.5
[M+NH4]+ 273.19613 181.6
[M+K]+ 294.12547 163.7
[M+H-H2O]+ 238.15957 150.8
[M+HCOO]- 300.16051 173.8
[M+CH3COO]- 314.17616 172.5
[M+Na-2H]- 276.13698 164.6
[M]+ 255.16176 155.0
[M]- 255.16286 155.0
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.