CID 53427008

848133-09-5

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CCN(C1)CC=CC(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h3-4H,1-2,5-7H2,(H,10,11)
InChIKey
IVFIUBOAHQZQQJ-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

155.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 135.4
[M+Na]+ 178.083858 141.0
[M-H]- 154.087364 135.5
[M+NH4]+ 173.128463 155.8
[M+K]+ 194.057798 139.3
[M+H-H2O]+ 138.091900 129.4
[M+HCOO]- 200.092841 155.1
[M+CH3COO]- 214.108491 171.5
[M+Na-2H]- 176.069306 138.0
[M]+ 155.09409142 132.1
[M]- 155.09518858 132.1
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