CID 23658

4-allyloxy-3,5-diisopropylbenzylamine hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)CN

InChI

InChI=1S/C16H25NO/c1-6-7-18-16-14(11(2)3)8-13(10-17)9-15(16)12(4)5/h6,8-9,11-12H,1,7,10,17H2,2-5H3

InChIKey

ZGKMHRCTDDIMHI-UHFFFAOYSA-N

Compound name

[3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.19362 Da
Monoisotopic Mass: 3.6
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]+	248.200896	162.1
[M+Na]+	270.182838	168.2
[M-H]-	246.186344	165.1
[M+NH4]+	265.227443	179.6
[M+K]+	286.156778	165.2
[M+H-H2O]+	230.190880	155.7
[M+HCOO]-	292.191821	183.1
[M+CH3COO]-	306.207471	203.1
[M+Na-2H]-	268.168286	161.1
[M]+	247.19307142	163.4
[M]-	247.19416858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe