CID 559313

1-tert-butyl-piperidin-3-one hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(C)N1CCCC(=O)C1
InChI
InChI=1S/C9H17NO/c1-9(2,3)10-6-4-5-8(11)7-10/h4-7H2,1-3H3
InChIKey
ZOKNFFFUUAYYSK-UHFFFAOYSA-N
Compound name
1-tert-butylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.5
[M+Na]+ 178.12023 141.6
[M-H]- 154.12373 137.3
[M+NH4]+ 173.16483 155.5
[M+K]+ 194.09417 140.8
[M+H-H2O]+ 138.12827 130.0
[M+HCOO]- 200.12921 153.3
[M+CH3COO]- 214.14486 177.0
[M+Na-2H]- 176.10568 140.8
[M]+ 155.13046 132.3
[M]- 155.13156 132.3
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