CID 20787

Buramate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1=CC=C(C=C1)CNC(=O)OCCO

InChI

InChI=1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)

InChIKey

YFLRYAVDPKONNX-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-benzylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2012
Patents: 195.08954 Da
Monoisotopic Mass: 0.8
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]+	196.096816	141.9
[M+Na]+	218.078758	147.6
[M-H]-	194.082264	143.9
[M+NH4]+	213.123363	160.2
[M+K]+	234.052698	146.0
[M+H-H2O]+	178.086800	135.5
[M+HCOO]-	240.087741	165.6
[M+CH3COO]-	254.103391	181.3
[M+Na-2H]-	216.064206	148.1
[M]+	195.08899142	142.3
[M]-	195.09008858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe