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]+ 170.08118 135.0
[M+Na]+ 192.06312 142.6
[M-H]- 168.06662 135.8
[M+NH4]+ 187.10772 155.2
[M+K]+ 208.03706 140.8
[M+H-H2O]+ 152.07116 129.6
[M+HCOO]- 214.07210 155.1
[M+CH3COO]- 228.08775 175.7
[M+Na-2H]- 190.04857 136.4
[M]+ 169.07335 133.3
[M]- 169.07445 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