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

22
Patents

169.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 136.2
[M+Na]+ 192.063118 142.7
[M-H]- 168.066624 136.8
[M+NH4]+ 187.107723 156.2
[M+K]+ 208.037058 141.4
[M+H-H2O]+ 152.071160 130.6
[M+HCOO]- 214.072101 155.4
[M+CH3COO]- 228.087751 174.7
[M+Na-2H]- 190.048566 137.1
[M]+ 169.07335142 133.4
[M]- 169.07444858 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