CID 13235305

141283-36-5

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C2COCC2CC1=O
InChI
InChI=1S/C7H10O2/c8-7-1-5-3-9-4-6(5)2-7/h5-6H,1-4H2
InChIKey
YNDZEULKVPLNDE-UHFFFAOYSA-N
Compound name
1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.0
[M+Na]+ 149.05730 131.7
[M-H]- 125.06080 128.9
[M+NH4]+ 144.10190 149.4
[M+K]+ 165.03124 131.8
[M+H-H2O]+ 109.06534 120.3
[M+HCOO]- 171.06628 145.9
[M+CH3COO]- 185.08193 168.6
[M+Na-2H]- 147.04275 128.9
[M]+ 126.06753 122.3
[M]- 126.06863 122.3
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