CID 637593

4,4-dimethyl-2-pyrrolidinone

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1(CC(=O)NC1)C
InChI
InChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChIKey
HGVPKAGCVCGRDQ-UHFFFAOYSA-N
Compound name
4,4-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.7
[M+Na]+ 136.07328 133.7
[M+NH4]+ 131.11788 133.4
[M+K]+ 152.04722 128.4
[M-H]- 112.07678 123.8
[M+Na-2H]- 134.05873 129.1
[M]+ 113.08351 125.0
[M]- 113.08461 125.0
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

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