CID 13387

1-methyl-2-pyrrolidinone

Structural Information

Molecular Formula
C5H9NO
SMILES
CN1CCCC1=O
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
SECXISVLQFMRJM-UHFFFAOYSA-N
Compound name
1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

600
References

114561
Patents

99.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.0
[M+Na]+ 122.05763 129.6
[M+NH4]+ 117.10223 127.8
[M+K]+ 138.03157 125.9
[M-H]- 98.061134 119.7
[M+Na-2H]- 120.04308 123.8
[M]+ 99.067861 120.4
[M]- 99.068959 120.4
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