CID 16227629

1-cyclopropylpiperidin-4-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC1N2CCC(=O)CC2
InChI
InChI=1S/C8H13NO/c10-8-3-5-9(6-4-8)7-1-2-7/h7H,1-6H2
InChIKey
DTUJRJIWGWTNFQ-UHFFFAOYSA-N
Compound name
1-cyclopropylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 133.1
[M+Na]+ 162.08894 141.1
[M-H]- 138.09244 138.8
[M+NH4]+ 157.13354 148.5
[M+K]+ 178.06288 139.0
[M+H-H2O]+ 122.09698 126.0
[M+HCOO]- 184.09792 153.3
[M+CH3COO]- 198.11357 176.5
[M+Na-2H]- 160.07439 138.3
[M]+ 139.09917 131.1
[M]- 139.10027 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