CID 21843620

(4-(allyloxy)phenyl)methanamine

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: 33
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]+	164.10700	135.1
[M+Na]+	186.08894	147.3
[M+NH4]+	181.13354	143.7
[M+K]+	202.06288	140.2
[M-H]-	162.09244	137.9
[M+Na-2H]-	184.07439	142.1
[M]+	163.09917	137.5
[M]-	163.10027	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe