CID 6008559

17480-08-9

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1=CC=C(C=C1)/C=C/CN

InChI

InChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8,10H2/b7-4+

InChIKey

RDAFNSMYPSHCBK-QPJJXVBHSA-N

Compound name

(E)-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 845
Patents: 133.08914 Da
Monoisotopic Mass: 1.7
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]+	134.09642	127.2
[M+Na]+	156.07836	134.2
[M-H]-	132.08186	130.2
[M+NH4]+	151.12296	148.6
[M+K]+	172.05230	131.3
[M+H-H2O]+	116.08640	121.6
[M+HCOO]-	178.08734	152.4
[M+CH3COO]-	192.10299	173.9
[M+Na-2H]-	154.06381	134.8
[M]+	133.08859	124.6
[M]-	133.08969	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe