CID 6285032

Brn 5523252

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CN(C)/C=C(\C#N)/N1CCCC1=O

InChI

InChI=1S/C9H13N3O/c1-11(2)7-8(6-10)12-5-3-4-9(12)13/h7H,3-5H2,1-2H3/b8-7+

InChIKey

GKLNBRBUHCCLOC-BQYQJAHWSA-N

Compound name

(E)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.10587 Da
Monoisotopic Mass: 0.0
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]+	180.11315	143.0
[M+Na]+	202.09509	151.0
[M+NH4]+	197.13969	146.5
[M+K]+	218.06903	144.9
[M-H]-	178.09859	136.0
[M+Na-2H]-	200.08054	143.6
[M]+	179.10532	140.9
[M]-	179.10642	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe