CID 3018067

Bis[(dimethylamino)methyl]phenol

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

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

InChI

InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3

InChIKey

HCKPQGBXPQNMKU-UHFFFAOYSA-N

Compound name

2,3-bis[(dimethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 876
Patents: 208.15756 Da
Monoisotopic Mass: 1.2
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]+	209.16484	149.2
[M+Na]+	231.14678	160.1
[M+NH4]+	226.19138	157.4
[M+K]+	247.12072	154.3
[M-H]-	207.15028	152.7
[M+Na-2H]-	229.13223	155.5
[M]+	208.15701	151.6
[M]-	208.15811	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe