CID 3055062

(+-)-1-(4-(dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC1CCC(=O)N1CC#CCN(C)C
InChI
InChI=1S/C11H18N2O/c1-10-6-7-11(14)13(10)9-5-4-8-12(2)3/h10H,6-9H2,1-3H3
InChIKey
YYUALTZHLJSXFR-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

194.1419 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 143.3
[M+Na]+ 217.131118 151.8
[M-H]- 193.134624 144.9
[M+NH4]+ 212.175723 161.5
[M+K]+ 233.105058 149.3
[M+H-H2O]+ 177.139160 130.4
[M+HCOO]- 239.140101 159.9
[M+CH3COO]- 253.155751 196.8
[M+Na-2H]- 215.116566 144.0
[M]+ 194.14135142 138.0
[M]- 194.14244858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.