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

46
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.6
[M+Na]+ 136.073278 130.8
[M-H]- 112.076784 123.7
[M+NH4]+ 131.117883 145.4
[M+K]+ 152.047218 129.4
[M+H-H2O]+ 96.081320 117.6
[M+HCOO]- 158.082261 143.5
[M+CH3COO]- 172.097911 166.4
[M+Na-2H]- 134.058726 126.2
[M]+ 113.08351142 119.3
[M]- 113.08460858 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