CID 65453518

67118-33-6

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC(=O)N(C1)C2(CC2)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-6-2-1-5-9(6)8(3-4-8)7(11)12/h1-5H2,(H,11,12)
InChIKey
YNQNZCSAHNGORR-UHFFFAOYSA-N
Compound name
1-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 137.2
[M+Na]+ 192.063118 146.3
[M-H]- 168.066624 142.2
[M+NH4]+ 187.107723 154.2
[M+K]+ 208.037058 144.1
[M+H-H2O]+ 152.071160 132.2
[M+HCOO]- 214.072101 157.0
[M+CH3COO]- 228.087751 177.2
[M+Na-2H]- 190.048566 140.8
[M]+ 169.07335142 137.6
[M]- 169.07444858 137.6
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

No patent data available for this compound.