CID 7186

Styramate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)

InChIKey

OCSOHUROTFFTFO-UHFFFAOYSA-N

Compound name

(2-hydroxy-2-phenylethyl) carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 638
Patents: 181.0739 Da
Monoisotopic Mass: 0.4
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]+	182.08118	138.2
[M+Na]+	204.06312	144.0
[M-H]-	180.06662	139.9
[M+NH4]+	199.10772	156.5
[M+K]+	220.03706	142.7
[M+H-H2O]+	164.07116	132.1
[M+HCOO]-	226.07210	160.5
[M+CH3COO]-	240.08775	179.2
[M+Na-2H]-	202.04857	142.6
[M]+	181.07335	136.7
[M]-	181.07445	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe