CID 101194

1,5-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CCC(=O)N1C
InChI
InChI=1S/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3
InChIKey
FILVIKOEJGORQS-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3051
Patents

113.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.4
[M+Na]+ 136.073278 130.1
[M-H]- 112.076784 123.9
[M+NH4]+ 131.117883 145.0
[M+K]+ 152.047218 129.6
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.082261 143.9
[M+CH3COO]- 172.097911 169.1
[M+Na-2H]- 134.058726 125.6
[M]+ 113.08351142 120.1
[M]- 113.08460858 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