CID 3045742

Endo-(+-)-4-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-1,2-benzenediol hydrobromide

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1C2(CCCC(C2)N1C)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H21NO2/c1-10-15(7-3-4-12(9-15)16(10)2)11-5-6-13(17)14(18)8-11/h5-6,8,10,12,17-18H,3-4,7,9H2,1-2H3
InChIKey
ZTFQJPZZCAZWFC-UHFFFAOYSA-N
Compound name
4-(6,7-dimethyl-6-azabicyclo[3.2.1]octan-1-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.5
[M+Na]+ 270.14645 166.2
[M-H]- 246.14995 160.8
[M+NH4]+ 265.19105 179.1
[M+K]+ 286.12039 161.5
[M+H-H2O]+ 230.15449 152.7
[M+HCOO]- 292.15543 173.2
[M+CH3COO]- 306.17108 169.6
[M+Na-2H]- 268.13190 160.9
[M]+ 247.15668 155.4
[M]- 247.15778 155.4
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.