CID 40060

51571-14-3

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCCC1=CC(=C(C(=C1)CN)O)CCC

InChI

InChI=1S/C13H21NO/c1-3-5-10-7-11(6-4-2)13(15)12(8-10)9-14/h7-8,15H,3-6,9,14H2,1-2H3

InChIKey

WLGAXACUKYLTQN-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-4,6-dipropylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.16231 Da
Monoisotopic Mass: 3.7
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]+	208.169586	149.8
[M+Na]+	230.151528	157.0
[M-H]-	206.155034	151.7
[M+NH4]+	225.196133	168.4
[M+K]+	246.125468	153.4
[M+H-H2O]+	190.159570	143.9
[M+HCOO]-	252.160511	172.1
[M+CH3COO]-	266.176161	190.5
[M+Na-2H]-	228.136976	152.4
[M]+	207.16176142	150.1
[M]-	207.16285858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe