CID 64063300

4-(3,3-dimethylpiperidin-1-yl)butan-2-one

Structural Information

Molecular Formula
C11H21NO
SMILES
CC(=O)CCN1CCCC(C1)(C)C
InChI
InChI=1S/C11H21NO/c1-10(13)5-8-12-7-4-6-11(2,3)9-12/h4-9H2,1-3H3
InChIKey
NGOUWPRDWFWMCW-UHFFFAOYSA-N
Compound name
4-(3,3-dimethylpiperidin-1-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 143.5
[M+Na]+ 206.15153 148.9
[M-H]- 182.15503 145.0
[M+NH4]+ 201.19613 164.2
[M+K]+ 222.12547 147.9
[M+H-H2O]+ 166.15957 137.8
[M+HCOO]- 228.16051 161.2
[M+CH3COO]- 242.17616 183.8
[M+Na-2H]- 204.13698 147.0
[M]+ 183.16176 141.2
[M]- 183.16286 141.2
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

No patent data available for this compound.