CID 81243

6784-61-8

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=O)CN1CCCCC1
InChI
InChI=1S/C8H15NO/c1-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3
InChIKey
WAPBWMNFSOOTGB-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

230
Patents

141.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.8
[M+Na]+ 164.104588 136.5
[M-H]- 140.108094 133.0
[M+NH4]+ 159.149193 151.6
[M+K]+ 180.078528 135.9
[M+H-H2O]+ 124.112630 125.4
[M+HCOO]- 186.113571 150.4
[M+CH3COO]- 200.129221 174.0
[M+Na-2H]- 162.090036 136.3
[M]+ 141.11482142 127.6
[M]- 141.11591858 127.6
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