CID 3056714

73826-14-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C=CC(C1=CC=CC=C1)OC(=O)N

InChI

InChI=1S/C10H11NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h2-7,9H,1H2,(H2,11,12)

InChIKey

HHDPLRHWNKFNAJ-UHFFFAOYSA-N

Compound name

1-phenylprop-2-enyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 177.07898 Da
Monoisotopic Mass: 2.1
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]+	178.08626	138.6
[M+Na]+	200.06820	149.2
[M+NH4]+	195.11280	146.0
[M+K]+	216.04214	144.0
[M-H]-	176.07170	140.1
[M+Na-2H]-	198.05365	144.4
[M]+	177.07843	140.2
[M]-	177.07953	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe