CID 3045733

Endo-(+-)-3-(7-methyl-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrobromide

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1C2(CCCC(C2)N1)C3=CC(=CC=C3)O
InChI
InChI=1S/C14H19NO/c1-10-14(7-3-5-12(9-14)15-10)11-4-2-6-13(16)8-11/h2,4,6,8,10,12,15-16H,3,5,7,9H2,1H3
InChIKey
VNMIYRUPFKIGCQ-UHFFFAOYSA-N
Compound name
3-(7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

217.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.4
[M+Na]+ 240.135888 157.7
[M-H]- 216.139394 153.1
[M+NH4]+ 235.180493 172.6
[M+K]+ 256.109828 152.6
[M+H-H2O]+ 200.143930 145.1
[M+HCOO]- 262.144871 166.3
[M+CH3COO]- 276.160521 162.3
[M+Na-2H]- 238.121336 155.4
[M]+ 217.14612142 145.6
[M]- 217.14721858 145.6
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

patents stripe