CID 12735682

80079-49-8

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC(=C)C(=O)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C9H11NO4/c1-5(2)8(12)10-6(9(13)14)3-4-7(10)11/h6H,1,3-4H2,2H3,(H,13,14)/t6-/m0/s1
InChIKey
ZYOKGXRZPVZCEP-LURJTMIESA-N
Compound name
(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.6
[M+Na]+ 220.058018 147.6
[M-H]- 196.061524 141.6
[M+NH4]+ 215.102623 159.5
[M+K]+ 236.031958 146.5
[M+H-H2O]+ 180.066060 135.4
[M+HCOO]- 242.067001 158.9
[M+CH3COO]- 256.082651 181.2
[M+Na-2H]- 218.043466 139.4
[M]+ 197.06825142 138.8
[M]- 197.06934858 138.8
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