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]+ 228.123026 151.6
[M+Na]+ 250.104968 155.9
[M-H]- 226.108474 151.3
[M+NH4]+ 245.149573 167.3
[M+K]+ 266.078908 154.4
[M+H-H2O]+ 210.113010 144.9
[M+HCOO]- 272.113951 167.8
[M+CH3COO]- 286.129601 185.7
[M+Na-2H]- 248.090416 152.3
[M]+ 227.11520142 149.2
[M]- 227.11629858 149.2
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.