CID 21909488

80851-96-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)C1CCCNC1
InChI
InChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h7-8H,2-5H2,1H3
InChIKey
NPESJLMSOHJUQQ-UHFFFAOYSA-N
Compound name
1-piperidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.1
[M+Na]+ 150.08894 132.8
[M-H]- 126.09244 128.0
[M+NH4]+ 145.13354 147.8
[M+K]+ 166.06288 131.5
[M+H-H2O]+ 110.09698 122.2
[M+HCOO]- 172.09792 145.5
[M+CH3COO]- 186.11357 168.3
[M+Na-2H]- 148.07439 132.6
[M]+ 127.09917 121.6
[M]- 127.10027 121.6
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