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]+ 173.11722 137.8
[M+Na]+ 195.09916 147.7
[M-H]- 171.10266 143.8
[M+NH4]+ 190.14376 156.9
[M+K]+ 211.07310 147.8
[M+H-H2O]+ 155.10720 133.5
[M+HCOO]- 217.10814 158.9
[M+CH3COO]- 231.12379 182.3
[M+Na-2H]- 193.08461 145.1
[M]+ 172.10939 145.0
[M]- 172.11049 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.