CID 21843620

83171-41-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C=CCOC1=CC=C(C=C1)CN

InChI

InChI=1S/C10H13NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6H,1,7-8,11H2

InChIKey

BQJOKMLXFZHRFX-UHFFFAOYSA-N

Compound name

(4-prop-2-enoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.106996	134.6
[M+Na]+	186.088938	142.0
[M-H]-	162.092444	137.8
[M+NH4]+	181.133543	155.0
[M+K]+	202.062878	139.3
[M+H-H2O]+	146.096980	128.7
[M+HCOO]-	208.097921	159.7
[M+CH3COO]-	222.113571	180.7
[M+Na-2H]-	184.074386	140.8
[M]+	163.09917142	134.2
[M]-	163.10026858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe