CID 21016055

1,5-dimethylpyrrolidin-3-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CC(=O)CN1C
InChI
InChI=1S/C6H11NO/c1-5-3-6(8)4-7(5)2/h5H,3-4H2,1-2H3
InChIKey
WGNSIHQTQHENSN-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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

No literature data available for this compound.

Patent stripe

patents stripe