CID 15482067

16160-12-6

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CN(C)CC1=C(CCCC1)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H21NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,17H,3-4,6,9,11H2,1-2H3

InChIKey

RGXFLYSKRVEBMO-UHFFFAOYSA-N

Compound name

3-[2-[(dimethylamino)methyl]cyclohexen-1-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 231.16231 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]+	232.16959	155.3
[M+Na]+	254.15153	167.9
[M+NH4]+	249.19613	164.5
[M+K]+	270.12547	160.4
[M-H]-	230.15503	160.7
[M+Na-2H]-	252.13698	163.4
[M]+	231.16176	158.6
[M]-	231.16286	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe