CID 14146873

4-tert-butylpiperidin-2-one

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(C)C1CCNC(=O)C1
InChI
InChI=1S/C9H17NO/c1-9(2,3)7-4-5-10-8(11)6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
WCAYVLDBIHEGGQ-UHFFFAOYSA-N
Compound name
4-tert-butylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

155.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.5
[M+Na]+ 178.120228 142.2
[M-H]- 154.123734 136.9
[M+NH4]+ 173.164833 155.8
[M+K]+ 194.094168 140.4
[M+H-H2O]+ 138.128270 131.3
[M+HCOO]- 200.129211 152.8
[M+CH3COO]- 214.144861 174.3
[M+Na-2H]- 176.105676 141.3
[M]+ 155.13046142 131.4
[M]- 155.13155858 131.4
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