CID 52987600

1-cyclopropylpiperidin-3-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC(=O)CN(C1)C2CC2
InChI
InChI=1S/C8H13NO/c10-8-2-1-5-9(6-8)7-3-4-7/h7H,1-6H2
InChIKey
PBAZGNIGXUXWPD-UHFFFAOYSA-N
Compound name
1-cyclopropylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 133.1
[M+Na]+ 162.088938 141.1
[M-H]- 138.092444 138.8
[M+NH4]+ 157.133543 148.5
[M+K]+ 178.062878 139.0
[M+H-H2O]+ 122.096980 126.0
[M+HCOO]- 184.097921 153.3
[M+CH3COO]- 198.113571 176.5
[M+Na-2H]- 160.074386 138.3
[M]+ 139.09917142 131.1
[M]- 139.10026858 131.1
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