CID 146049054

3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C9H16O3
SMILES
COCC1(CC2C(C1)O2)COC
InChI
InChI=1S/C9H16O3/c1-10-5-9(6-11-2)3-7-8(4-9)12-7/h7-8H,3-6H2,1-2H3
InChIKey
VQMQUHNRQLAGPG-UHFFFAOYSA-N
Compound name
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.8
[M+Na]+ 195.099158 147.7
[M-H]- 171.102664 143.8
[M+NH4]+ 190.143763 156.9
[M+K]+ 211.073098 147.8
[M+H-H2O]+ 155.107200 133.5
[M+HCOO]- 217.108141 158.9
[M+CH3COO]- 231.123791 182.3
[M+Na-2H]- 193.084606 145.1
[M]+ 172.10939142 145.0
[M]- 172.11048858 145.0
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.