CID 79615380

2-{1-[(prop-2-en-1-yloxy)carbonyl]piperidin-4-yl}acetic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
C=CCOC(=O)N1CCC(CC1)CC(=O)O
InChI
InChI=1S/C11H17NO4/c1-2-7-16-11(15)12-5-3-9(4-6-12)8-10(13)14/h2,9H,1,3-8H2,(H,13,14)
InChIKey
MPCSNPBPOJATQG-UHFFFAOYSA-N
Compound name
2-(1-prop-2-enoxycarbonylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 152.6
[M+Na]+ 250.10497 160.5
[M+NH4]+ 245.14957 157.7
[M+K]+ 266.07891 156.7
[M-H]- 226.10847 150.7
[M+Na-2H]- 248.09042 153.8
[M]+ 227.11520 152.5
[M]- 227.11630 152.5
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.