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]+ 195.14918 143.3
[M+Na]+ 217.13112 151.8
[M-H]- 193.13462 144.9
[M+NH4]+ 212.17572 161.5
[M+K]+ 233.10506 149.3
[M+H-H2O]+ 177.13916 130.4
[M+HCOO]- 239.14010 159.9
[M+CH3COO]- 253.15575 196.8
[M+Na-2H]- 215.11657 144.0
[M]+ 194.14135 138.0
[M]- 194.14245 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.