CID 7026

90-72-2

Structural Information

Molecular Formula

C₁₅H₂₇N₃O

SMILES

CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C

InChI

InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3

InChIKey

AHDSRXYHVZECER-UHFFFAOYSA-N

Compound name

2,4,6-tris[(dimethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 38452
Patents: 265.21542 Da
Monoisotopic Mass: 1.1
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]+	266.22270	166.9
[M+Na]+	288.20464	176.5
[M+NH4]+	283.24924	174.3
[M+K]+	304.17858	171.1
[M-H]-	264.20814	170.9
[M+Na-2H]-	286.19009	172.0
[M]+	265.21487	169.2
[M]-	265.21597	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe