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

4023
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 121.4
[M+Na]+ 136.07328 130.1
[M-H]- 112.07678 123.9
[M+NH4]+ 131.11788 145.0
[M+K]+ 152.04722 129.6
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.08226 143.9
[M+CH3COO]- 172.09791 169.1
[M+Na-2H]- 134.05873 125.6
[M]+ 113.08351 120.1
[M]- 113.08461 120.1
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