CID 85157543

Lycoperdic acid

Structural Information

Molecular Formula
C8H11NO6
SMILES
C1CC(OC1=O)(CC(C(=O)O)N)C(=O)O
InChI
InChI=1S/C8H11NO6/c9-4(6(11)12)3-8(7(13)14)2-1-5(10)15-8/h4H,1-3,9H2,(H,11,12)(H,13,14)
InChIKey
ZQVZYZVRVFBTDG-UHFFFAOYSA-N
Compound name
2-(2-amino-2-carboxyethyl)-5-oxooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

217.05864 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06592 143.7
[M+Na]+ 240.04786 149.0
[M-H]- 216.05136 144.6
[M+NH4]+ 235.09246 161.9
[M+K]+ 256.02180 149.7
[M+H-H2O]+ 200.05590 139.7
[M+HCOO]- 262.05684 161.5
[M+CH3COO]- 276.07249 182.3
[M+Na-2H]- 238.03331 145.1
[M]+ 217.05809 141.5
[M]- 217.05919 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe