CID 14435951

4,5-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CC(=O)NC1C
InChI
InChI=1S/C6H11NO/c1-4-3-6(8)7-5(4)2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKey
URLVRPKEOGBFHJ-UHFFFAOYSA-N
Compound name
4,5-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.6
[M+Na]+ 136.07328 130.8
[M-H]- 112.07678 123.7
[M+NH4]+ 131.11788 145.4
[M+K]+ 152.04722 129.4
[M+H-H2O]+ 96.081320 117.6
[M+HCOO]- 158.08226 143.5
[M+CH3COO]- 172.09791 166.4
[M+Na-2H]- 134.05873 126.2
[M]+ 113.08351 119.3
[M]- 113.08461 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe