CID 350473

N-acryloylpiperidine

Structural Information

Molecular Formula
C8H13NO
SMILES
C=CC(=O)N1CCCCC1
InChI
InChI=1S/C8H13NO/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKey
RESPXSHDJQUNTN-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7207
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.5
[M+Na]+ 162.088938 135.6
[M-H]- 138.092444 131.8
[M+NH4]+ 157.133543 150.5
[M+K]+ 178.062878 134.5
[M+H-H2O]+ 122.096980 124.3
[M+HCOO]- 184.097921 149.4
[M+CH3COO]- 198.113571 172.4
[M+Na-2H]- 160.074386 135.1
[M]+ 139.09917142 125.6
[M]- 139.10026858 125.6
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