CID 6433237

Cinnamyl alcohol, carbamate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1=CC=C(C=C1)/C=C/COC(=O)N

InChI

InChI=1S/C10H11NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H2,11,12)/b7-4+

InChIKey

LXKLUWFIBVXFGX-QPJJXVBHSA-N

Compound name

[(E)-3-phenylprop-2-enyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4920
Patents: 177.07898 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]+	178.086256	137.9
[M+Na]+	200.068198	144.4
[M-H]-	176.071704	140.9
[M+NH4]+	195.112803	157.3
[M+K]+	216.042138	142.2
[M+H-H2O]+	160.076240	131.7
[M+HCOO]-	222.077181	162.5
[M+CH3COO]-	236.092831	180.3
[M+Na-2H]-	198.053646	143.5
[M]+	177.07843142	137.1
[M]-	177.07952858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe