CID 66055

5-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1CCC(=O)N1
InChI
InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
YVIVRJLWYJGJTJ-UHFFFAOYSA-N
Compound name
5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4720
Patents

99.06841 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.4
[M+Na]+ 122.05763 129.5
[M+NH4]+ 117.10223 127.8
[M+K]+ 138.03157 126.1
[M-H]- 98.061134 119.6
[M+Na-2H]- 120.04308 123.6
[M]+ 99.067861 120.6
[M]- 99.068959 120.6
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