CID 66805

Plexol b

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)CN(C)C

InChI

InChI=1S/C13H21NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h6-8,15H,9H2,1-5H3

InChIKey

AOLMGCHTFOOEDQ-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-[(dimethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 207.16231 Da
Monoisotopic Mass: 2.4
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]+	208.16959	148.9
[M+Na]+	230.15153	155.9
[M-H]-	206.15503	152.9
[M+NH4]+	225.19613	168.4
[M+K]+	246.12547	154.5
[M+H-H2O]+	190.15957	143.4
[M+HCOO]-	252.16051	170.9
[M+CH3COO]-	266.17616	193.1
[M+Na-2H]-	228.13698	153.4
[M]+	207.16176	150.6
[M]-	207.16286	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe