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

6
Annotation Hits: 15
References: 40145
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]+	266.222696	167.4
[M+Na]+	288.204638	172.4
[M-H]-	264.208144	173.8
[M+NH4]+	283.249243	185.0
[M+K]+	304.178578	172.9
[M+H-H2O]+	248.212680	159.5
[M+HCOO]-	310.213621	193.1
[M+CH3COO]-	324.229271	217.7
[M+Na-2H]-	286.190086	168.2
[M]+	265.21487142	171.6
[M]-	265.21596858	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe