CID 3152393

16199-99-8

Structural Information

Molecular Formula
C8H11NO3
SMILES
C=CCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h2,6H,1,3-5H2,(H,11,12)
InChIKey
NQPNARIZMOTIPS-UHFFFAOYSA-N
Compound name
5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

169.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 135.0
[M+Na]+ 192.063118 142.6
[M-H]- 168.066624 135.8
[M+NH4]+ 187.107723 155.2
[M+K]+ 208.037058 140.8
[M+H-H2O]+ 152.071160 129.6
[M+HCOO]- 214.072101 155.1
[M+CH3COO]- 228.087751 175.7
[M+Na-2H]- 190.048566 136.4
[M]+ 169.07335142 133.3
[M]- 169.07444858 133.3
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