CID 2995968

10429-30-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN(C)CCCOC1=CC=CC=C1C=O

InChI

InChI=1S/C12H17NO2/c1-13(2)8-5-9-15-12-7-4-3-6-11(12)10-14/h3-4,6-7,10H,5,8-9H2,1-2H3

InChIKey

DSHCOEWHRLVOTF-UHFFFAOYSA-N

Compound name

2-[3-(dimethylamino)propoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 207.12593 Da
Monoisotopic Mass: 2.1
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]+	208.133206	146.5
[M+Na]+	230.115148	153.1
[M-H]-	206.118654	151.3
[M+NH4]+	225.159753	166.0
[M+K]+	246.089088	152.3
[M+H-H2O]+	190.123190	139.7
[M+HCOO]-	252.124131	172.3
[M+CH3COO]-	266.139781	193.0
[M+Na-2H]-	228.100596	152.0
[M]+	207.12538142	150.6
[M]-	207.12647858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe