CID 98977

5763-49-5

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

C1CC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2

InChIKey

NMSRALOLNIBERV-UHFFFAOYSA-N

Compound name

4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1072
Patents: 140.04735 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.054626	125.0
[M+Na]+	163.036568	133.8
[M-H]-	139.040074	130.3
[M+NH4]+	158.081173	150.0
[M+K]+	179.010508	133.7
[M+H-H2O]+	123.044610	121.6
[M+HCOO]-	185.045551	147.3
[M+CH3COO]-	199.061201	170.9
[M+Na-2H]-	161.022016	129.4
[M]+	140.04680142	124.4
[M]-	140.04789858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe