CID 89995

23081-86-9

Structural Information

Molecular Formula
C9H17NO
SMILES
CCCCN1CCC(=O)CC1
InChI
InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3
InChIKey
OCNWYKFGWLGNHZ-UHFFFAOYSA-N
Compound name
1-butylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

234
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.6
[M+Na]+ 178.120228 141.1
[M-H]- 154.123734 136.9
[M+NH4]+ 173.164833 155.3
[M+K]+ 194.094168 139.8
[M+H-H2O]+ 138.128270 129.2
[M+HCOO]- 200.129211 154.9
[M+CH3COO]- 214.144861 177.3
[M+Na-2H]- 176.105676 140.1
[M]+ 155.13046142 132.8
[M]- 155.13155858 132.8
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