CID 107304

1-acetyl-3-methylpiperidine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1CCCN(C1)C(=O)C
InChI
InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3
InChIKey
XKFPNHDGLSYZRC-UHFFFAOYSA-N
Compound name
1-(3-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

434
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

No literature data available for this compound.

Patent stripe

patents stripe