CID 22013148

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

Structural Information

Molecular Formula
C7H12O2
SMILES
COCC1CC2C(C1)O2
InChI
InChI=1S/C7H12O2/c1-8-4-5-2-6-7(3-5)9-6/h5-7H,2-4H2,1H3
InChIKey
FLQKRGRZFHDZRM-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.4
[M+Na]+ 151.072938 135.5
[M-H]- 127.076444 131.5
[M+NH4]+ 146.117543 144.4
[M+K]+ 167.046878 135.0
[M+H-H2O]+ 111.080980 120.4
[M+HCOO]- 173.081921 147.4
[M+CH3COO]- 187.097571 175.0
[M+Na-2H]- 149.058386 132.7
[M]+ 128.08317142 130.0
[M]- 128.08426858 130.0
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

patents stripe