CID 671213

(r)-(+)-n-(1-phenylethyl)maleimide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C=CC2=O

InChI

InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-9H,1H3/t9-/m1/s1

InChIKey

PWZXUQWQRVKGAH-SECBINFHSA-N

Compound name

1-[(1R)-1-phenylethyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 201.07898 Da
Monoisotopic Mass: 1.4
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]+	202.086256	142.0
[M+Na]+	224.068198	150.5
[M-H]-	200.071704	147.9
[M+NH4]+	219.112803	161.6
[M+K]+	240.042138	147.8
[M+H-H2O]+	184.076240	135.1
[M+HCOO]-	246.077181	165.0
[M+CH3COO]-	260.092831	184.3
[M+Na-2H]-	222.053646	145.1
[M]+	201.07843142	141.9
[M]-	201.07952858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe