CID 12284277

3-methylpiperidin-4-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CNCCC1=O
InChI
InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3
InChIKey
KTWRIXHINMYODR-UHFFFAOYSA-N
Compound name
3-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

811
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 122.8
[M+Na]+ 136.073278 129.2
[M-H]- 112.076784 123.3
[M+NH4]+ 131.117883 143.5
[M+K]+ 152.047218 127.7
[M+H-H2O]+ 96.081320 117.4
[M+HCOO]- 158.082261 141.6
[M+CH3COO]- 172.097911 165.5
[M+Na-2H]- 134.058726 128.5
[M]+ 113.08351142 117.1
[M]- 113.08460858 117.1
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