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: 0
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]+	208.16959	149.8
[M+Na]+	230.15153	157.0
[M-H]-	206.15503	151.7
[M+NH4]+	225.19613	168.4
[M+K]+	246.12547	153.4
[M+H-H2O]+	190.15957	143.9
[M+HCOO]-	252.16051	172.1
[M+CH3COO]-	266.17616	190.5
[M+Na-2H]-	228.13698	152.4
[M]+	207.16176	150.1
[M]-	207.16286	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe