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	154.4
[M+Na]+	254.15153	159.2
[M-H]-	230.15503	160.5
[M+NH4]+	249.19613	171.9
[M+K]+	270.12547	156.5
[M+H-H2O]+	214.15957	146.9
[M+HCOO]-	276.16051	175.8
[M+CH3COO]-	290.17616	195.7
[M+Na-2H]-	252.13698	157.6
[M]+	231.16176	151.8
[M]-	231.16286	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe