CID 10486852

1-methyl-3-methylidenepiperidin-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
CN1CCCC(=C)C1=O
InChI
InChI=1S/C7H11NO/c1-6-4-3-5-8(2)7(6)9/h1,3-5H2,2H3
InChIKey
NNYWTYAXHYQBND-UHFFFAOYSA-N
Compound name
1-methyl-3-methylidenepiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.2
[M+Na]+ 148.07328 131.9
[M-H]- 124.07678 126.4
[M+NH4]+ 143.11788 145.4
[M+K]+ 164.04722 130.5
[M+H-H2O]+ 108.08132 118.7
[M+HCOO]- 170.08226 144.4
[M+CH3COO]- 184.09791 171.5
[M+Na-2H]- 146.05873 129.2
[M]+ 125.08351 120.4
[M]- 125.08461 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