CID 23034656

1342552-04-8

Structural Information

Molecular Formula
C8H11NO3
SMILES
C=CC(=O)N1CCC(C1)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-2-7(10)9-4-3-6(5-9)8(11)12/h2,6H,1,3-5H2,(H,11,12)
InChIKey
WAQCGNDULBMNQJ-UHFFFAOYSA-N
Compound name
1-prop-2-enoylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

169.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 136.2
[M+Na]+ 192.06312 142.7
[M-H]- 168.06662 136.8
[M+NH4]+ 187.10772 156.2
[M+K]+ 208.03706 141.4
[M+H-H2O]+ 152.07116 130.6
[M+HCOO]- 214.07210 155.4
[M+CH3COO]- 228.08775 174.7
[M+Na-2H]- 190.04857 137.1
[M]+ 169.07335 133.4
[M]- 169.07445 133.4
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