CID 20082658

1383734-93-7

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1CC(=O)CN1
InChI
InChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h4,6H,2-3H2,1H3
InChIKey
BOBWXPSRJYGDGV-UHFFFAOYSA-N
Compound name
5-methylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

99.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.6
[M+Na]+ 122.05763 126.4
[M-H]- 98.061134 119.5
[M+NH4]+ 117.10223 141.7
[M+K]+ 138.03157 125.2
[M+H-H2O]+ 82.065670 113.5
[M+HCOO]- 144.06661 139.9
[M+CH3COO]- 158.08226 162.2
[M+Na-2H]- 120.04308 123.4
[M]+ 99.067861 114.6
[M]- 99.068959 114.6
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