CID 3085697

72765-50-5

Structural Information

Molecular Formula
C11H15NO2
SMILES
C=C1CC(=C(C1=O)O)N2CCCCC2
InChI
InChI=1S/C11H15NO2/c1-8-7-9(11(14)10(8)13)12-5-3-2-4-6-12/h14H,1-7H2
InChIKey
BQDAMYSDZKDALB-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methylidene-3-piperidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.1
[M+Na]+ 216.09950 149.7
[M-H]- 192.10300 146.8
[M+NH4]+ 211.14410 162.4
[M+K]+ 232.07344 146.4
[M+H-H2O]+ 176.10754 136.8
[M+HCOO]- 238.10848 161.5
[M+CH3COO]- 252.12413 180.2
[M+Na-2H]- 214.08495 143.7
[M]+ 193.10973 137.5
[M]- 193.11083 137.5
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

No patent data available for this compound.