CID 43616377

1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C9H15NO2
SMILES
C=CC(=O)N1CCC(CC1)CO
InChI
InChI=1S/C9H15NO2/c1-2-9(12)10-5-3-8(7-11)4-6-10/h2,8,11H,1,3-7H2
InChIKey
ZKXRDDRYQFSFQZ-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.4
[M+Na]+ 192.09950 143.6
[M-H]- 168.10300 138.5
[M+NH4]+ 187.14410 156.7
[M+K]+ 208.07344 141.7
[M+H-H2O]+ 152.10754 132.4
[M+HCOO]- 214.10848 155.7
[M+CH3COO]- 228.12413 176.0
[M+Na-2H]- 190.08495 141.2
[M]+ 169.10973 133.8
[M]- 169.11083 133.8
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