CID 53427008

4-pyrrolidin-1-ylbut-2-enoic acid

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

177
Patents

155.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 136.1
[M+Na]+ 178.08386 144.4
[M+NH4]+ 173.12846 143.0
[M+K]+ 194.05780 141.3
[M-H]- 154.08736 135.1
[M+Na-2H]- 176.06931 138.6
[M]+ 155.09409 136.5
[M]- 155.09519 136.5
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

patents stripe