CID 11073466

4-vinylbenzylamine (stabilized with mehq)

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C=CC1=CC=C(C=C1)CN

InChI

InChI=1S/C9H11N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7,10H2

InChIKey

WAVDSLLYAQBITE-UHFFFAOYSA-N

Compound name

(4-ethenylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1841
Patents: 133.08914 Da
Monoisotopic Mass: 1.6
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]+	134.09642	126.6
[M+Na]+	156.07836	134.5
[M-H]-	132.08186	130.0
[M+NH4]+	151.12296	148.3
[M+K]+	172.05230	131.6
[M+H-H2O]+	116.08640	121.2
[M+HCOO]-	178.08734	151.8
[M+CH3COO]-	192.10299	175.7
[M+Na-2H]-	154.06381	133.5
[M]+	133.08859	124.5
[M]-	133.08969	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe