CID 78341

1-acetyl-4-methylpiperidine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1CCN(CC1)C(=O)C
InChI
InChI=1S/C8H15NO/c1-7-3-5-9(6-4-7)8(2)10/h7H,3-6H2,1-2H3
InChIKey
DWPMJTVAEDBIES-UHFFFAOYSA-N
Compound name
1-(4-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1213
Patents

141.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.3
[M+Na]+ 164.104588 137.1
[M-H]- 140.108094 132.9
[M+NH4]+ 159.149193 151.6
[M+K]+ 180.078528 136.5
[M+H-H2O]+ 124.112630 125.3
[M+HCOO]- 186.113571 149.9
[M+CH3COO]- 200.129221 174.5
[M+Na-2H]- 162.090036 135.1
[M]+ 141.11482142 127.4
[M]- 141.11591858 127.4
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