CID 11030443

51716-62-2

Structural Information

Molecular Formula
C10H14O3
SMILES
C1COC2(O1)C[C@H]3CC(=O)C[C@H]3C2
InChI
InChI=1S/C10H14O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-8H,1-6H2/t7-,8+
InChIKey
WWAYLSXXLXIQNN-OCAPTIKFSA-N
Compound name
(3aS,6aR)-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

182.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.3
[M+Na]+ 205.08352 146.4
[M-H]- 181.08702 146.8
[M+NH4]+ 200.12812 164.7
[M+K]+ 221.05746 146.8
[M+H-H2O]+ 165.09156 136.8
[M+HCOO]- 227.09250 158.6
[M+CH3COO]- 241.10815 153.2
[M+Na-2H]- 203.06897 142.5
[M]+ 182.09375 137.2
[M]- 182.09485 137.2
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