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 151.6
[M+Na]+ 250.10497 155.9
[M-H]- 226.10847 151.3
[M+NH4]+ 245.14957 167.3
[M+K]+ 266.07891 154.4
[M+H-H2O]+ 210.11301 144.9
[M+HCOO]- 272.11395 167.8
[M+CH3COO]- 286.12960 185.7
[M+Na-2H]- 248.09042 152.3
[M]+ 227.11520 149.2
[M]- 227.11630 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.