CID 41798

56231-76-6

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CN1CC2(CCCC1C2)C3=CC(=CC=C3)O

InChI

InChI=1S/C14H19NO/c1-15-10-14(7-3-5-12(15)9-14)11-4-2-6-13(16)8-11/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3

InChIKey

CACUHZYZLDBFQG-UHFFFAOYSA-N

Compound name

3-(6-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.153946	150.9
[M+Na]+	240.135888	157.6
[M-H]-	216.139394	154.0
[M+NH4]+	235.180493	172.8
[M+K]+	256.109828	153.4
[M+H-H2O]+	200.143930	144.3
[M+HCOO]-	262.144871	167.4
[M+CH3COO]-	276.160521	162.5
[M+Na-2H]-	238.121336	155.3
[M]+	217.14612142	146.9
[M]-	217.14721858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe