CID 19601177

N-(phthalimidomethyl)acrylamide

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C=CC(=O)NCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H10N2O3/c1-2-10(15)13-7-14-11(16)8-5-3-4-6-9(8)12(14)17/h2-6H,1,7H2,(H,13,15)

InChIKey

PMKGJTOCRFPWSS-UHFFFAOYSA-N

Compound name

N-[(1,3-dioxoisoindol-2-yl)methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 230.06914 Da
Monoisotopic Mass: 2.0
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]+	231.076416	148.0
[M+Na]+	253.058358	157.0
[M-H]-	229.061864	151.6
[M+NH4]+	248.102963	167.4
[M+K]+	269.032298	153.5
[M+H-H2O]+	213.066400	141.7
[M+HCOO]-	275.067341	170.9
[M+CH3COO]-	289.082991	192.1
[M+Na-2H]-	251.043806	151.7
[M]+	230.06859142	148.8
[M]-	230.06968858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe