CID 79656

1-methylpiperidin-3-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CN1CCCC(=O)C1
InChI
InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-5H2,1H3
InChIKey
SIKTVUHUQZNEPY-UHFFFAOYSA-N
Compound name
1-methylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

375
Patents

113.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.8
[M+Na]+ 136.073278 128.6
[M-H]- 112.076784 123.7
[M+NH4]+ 131.117883 143.2
[M+K]+ 152.047218 128.1
[M+H-H2O]+ 96.081320 116.0
[M+HCOO]- 158.082261 142.1
[M+CH3COO]- 172.097911 168.2
[M+Na-2H]- 134.058726 128.0
[M]+ 113.08351142 117.9
[M]- 113.08460858 117.9
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