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

232
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 135.4
[M+Na]+ 178.08386 141.0
[M-H]- 154.08736 135.5
[M+NH4]+ 173.12846 155.8
[M+K]+ 194.05780 139.3
[M+H-H2O]+ 138.09190 129.4
[M+HCOO]- 200.09284 155.1
[M+CH3COO]- 214.10849 171.5
[M+Na-2H]- 176.06931 138.0
[M]+ 155.09409 132.1
[M]- 155.09519 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