CID 11228802

2,5-dimethylpiperidin-4-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CC(=O)C(CN1)C
InChI
InChI=1S/C7H13NO/c1-5-4-8-6(2)3-7(5)9/h5-6,8H,3-4H2,1-2H3
InChIKey
KZAGJHDAWXVDQX-UHFFFAOYSA-N
Compound name
2,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

127.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.9
[M+Na]+ 150.088938 133.8
[M-H]- 126.092444 127.6
[M+NH4]+ 145.133543 147.3
[M+K]+ 166.062878 132.1
[M+H-H2O]+ 110.096980 121.5
[M+HCOO]- 172.097921 145.3
[M+CH3COO]- 186.113571 169.7
[M+Na-2H]- 148.074386 131.3
[M]+ 127.09917142 121.9
[M]- 127.10026858 121.9
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