CID 10844354

1-methyl-3-methylidenepyrrolidin-2-one

Structural Information

Molecular Formula
C6H9NO
SMILES
CN1CCC(=C)C1=O
InChI
InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InChIKey
AFXKUUDFKHVAGI-UHFFFAOYSA-N
Compound name
1-methyl-3-methylidenepyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2300
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.0
[M+Na]+ 134.05763 129.1
[M-H]- 110.06113 122.6
[M+NH4]+ 129.10223 143.7
[M+K]+ 150.03157 127.9
[M+H-H2O]+ 94.065670 115.0
[M+HCOO]- 156.06661 142.7
[M+CH3COO]- 170.08226 168.2
[M+Na-2H]- 132.04308 124.2
[M]+ 111.06786 118.0
[M]- 111.06896 118.0
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