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]+ 218.15395 151.4
[M+Na]+ 240.13589 157.7
[M-H]- 216.13939 153.1
[M+NH4]+ 235.18049 172.6
[M+K]+ 256.10983 152.6
[M+H-H2O]+ 200.14393 145.1
[M+HCOO]- 262.14487 166.3
[M+CH3COO]- 276.16052 162.3
[M+Na-2H]- 238.12134 155.4
[M]+ 217.14612 145.6
[M]- 217.14722 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