CID 118098

2-cyclopenten-1-one, 2-hydroxy-5-methyl-3-(1-piperidinyl)-

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1CC(=C(C1=O)O)N2CCCCC2
InChI
InChI=1S/C11H17NO2/c1-8-7-9(11(14)10(8)13)12-5-3-2-4-6-12/h8,14H,2-7H2,1H3
InChIKey
NNKYPXDAHSRZCR-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.3
[M+Na]+ 218.115148 150.6
[M-H]- 194.118654 148.0
[M+NH4]+ 213.159753 163.6
[M+K]+ 234.089088 147.9
[M+H-H2O]+ 178.123190 137.8
[M+HCOO]- 240.124131 162.5
[M+CH3COO]- 254.139781 181.0
[M+Na-2H]- 216.100596 144.9
[M]+ 195.12538142 139.3
[M]- 195.12647858 139.3
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