CID 10856222

2,2-dimethoxy-1-(piperidin-1-yl)ethanone

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC(C(=O)N1CCCCC1)OC
InChI
InChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKey
WQAKEXCQFZNEFH-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.4
[M+Na]+ 210.11007 146.4
[M-H]- 186.11357 143.5
[M+NH4]+ 205.15467 160.3
[M+K]+ 226.08401 147.1
[M+H-H2O]+ 170.11811 135.6
[M+HCOO]- 232.11905 160.2
[M+CH3COO]- 246.13470 181.3
[M+Na-2H]- 208.09552 145.2
[M]+ 187.12030 140.8
[M]- 187.12140 140.8
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