CID 62217305

1248227-28-2

Structural Information

Molecular Formula
C11H17NO3
SMILES
C=CC(=O)N1CCC(CC1)CCC(=O)O
InChI
InChI=1S/C11H17NO3/c1-2-10(13)12-7-5-9(6-8-12)3-4-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKey
ORJDTMQBRRAQIR-UHFFFAOYSA-N
Compound name
3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 148.7
[M+Na]+ 234.11007 153.1
[M-H]- 210.11357 148.5
[M+NH4]+ 229.15467 165.1
[M+K]+ 250.08401 151.0
[M+H-H2O]+ 194.11811 142.3
[M+HCOO]- 256.11905 164.7
[M+CH3COO]- 270.13470 184.2
[M+Na-2H]- 232.09552 149.4
[M]+ 211.12030 145.0
[M]- 211.12140 145.0
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