CID 3086906

1-(4-(ethylmethylamino)-2-butynyl)-5-methyl-2-pyrrolidinone ethanedioate (2:3)

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCN(C)CC#CCN1C(CCC1=O)C
InChI
InChI=1S/C12H20N2O/c1-4-13(3)9-5-6-10-14-11(2)7-8-12(14)15/h11H,4,7-10H2,1-3H3
InChIKey
DHTBHIFUXKMUGU-UHFFFAOYSA-N
Compound name
1-[4-[ethyl(methyl)amino]but-2-ynyl]-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.15756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 147.2
[M+Na]+ 231.146778 155.3
[M-H]- 207.150284 148.7
[M+NH4]+ 226.191383 165.0
[M+K]+ 247.120718 152.6
[M+H-H2O]+ 191.154820 134.2
[M+HCOO]- 253.155761 163.6
[M+CH3COO]- 267.171411 199.5
[M+Na-2H]- 229.132226 147.5
[M]+ 208.15701142 142.2
[M]- 208.15810858 142.2
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.