CID 209257

1,3-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CCN(C1=O)C
InChI
InChI=1S/C6H11NO/c1-5-3-4-7(2)6(5)8/h5H,3-4H2,1-2H3
InChIKey
BCNBMSZKALBQEF-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2430
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 122.9
[M+Na]+ 136.07328 133.8
[M+NH4]+ 131.11788 131.6
[M+K]+ 152.04722 130.0
[M-H]- 112.07678 123.7
[M+Na-2H]- 134.05873 127.2
[M]+ 113.08351 124.4
[M]- 113.08461 124.4
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

patents stripe