CID 14963861

1-acryloylpiperidin-4-one

Structural Information

Molecular Formula
C8H11NO2
SMILES
C=CC(=O)N1CCC(=O)CC1
InChI
InChI=1S/C8H11NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h2H,1,3-6H2
InChIKey
XUZOTORSRZQIJN-UHFFFAOYSA-N
Compound name
1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

153.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.3
[M+Na]+ 176.068198 137.7
[M-H]- 152.071704 133.0
[M+NH4]+ 171.112803 150.9
[M+K]+ 192.042138 136.4
[M+H-H2O]+ 136.076240 125.3
[M+HCOO]- 198.077181 150.7
[M+CH3COO]- 212.092831 174.7
[M+Na-2H]- 174.053646 135.3
[M]+ 153.07843142 127.6
[M]- 153.07952858 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