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

492
Patents

141.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.3
[M+Na]+ 164.10459 137.1
[M-H]- 140.10809 132.9
[M+NH4]+ 159.14919 151.6
[M+K]+ 180.07853 136.5
[M+H-H2O]+ 124.11263 125.3
[M+HCOO]- 186.11357 149.9
[M+CH3COO]- 200.12922 174.5
[M+Na-2H]- 162.09004 135.1
[M]+ 141.11482 127.4
[M]- 141.11592 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