CID 86012

Nk-1145 hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CN1C2CCC1CC(C2)OC3=CC=CC=C3

InChI

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

InChIKey

SYNKGZURWSKSDC-UHFFFAOYSA-N

Compound name

8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.14667 Da
Monoisotopic Mass: 3.1
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]+	218.15395	150.0
[M+Na]+	240.13589	156.0
[M-H]-	216.13939	154.0
[M+NH4]+	235.18049	170.5
[M+K]+	256.10983	152.6
[M+H-H2O]+	200.14393	142.7
[M+HCOO]-	262.14487	167.9
[M+CH3COO]-	276.16052	161.8
[M+Na-2H]-	238.12134	153.8
[M]+	217.14612	147.4
[M]-	217.14722	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe