CID 13266409

91324-25-3

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=O)C1CCCN(C1)C
InChI
InChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3
InChIKey
JSIDVBVMOLHBID-UHFFFAOYSA-N
Compound name
1-(1-methylpiperidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 136.7
[M-H]- 140.10809 132.7
[M+NH4]+ 159.14919 151.3
[M+K]+ 180.07853 136.2
[M+H-H2O]+ 124.11263 125.0
[M+HCOO]- 186.11357 149.7
[M+CH3COO]- 200.12922 175.1
[M+Na-2H]- 162.09004 134.9
[M]+ 141.11482 127.3
[M]- 141.11592 127.3
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