CID 73120746

1100849-15-7

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)CC1CCC2C1O2
InChI
InChI=1S/C8H12O3/c1-10-7(9)4-5-2-3-6-8(5)11-6/h5-6,8H,2-4H2,1H3
InChIKey
YRILMUUFHBEYOV-UHFFFAOYSA-N
Compound name
methyl 2-(6-oxabicyclo[3.1.0]hexan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.5
[M+Na]+ 179.06786 142.3
[M-H]- 155.07136 138.6
[M+NH4]+ 174.11246 150.3
[M+K]+ 195.04180 141.6
[M+H-H2O]+ 139.07590 127.5
[M+HCOO]- 201.07684 153.6
[M+CH3COO]- 215.09249 179.2
[M+Na-2H]- 177.05331 138.1
[M]+ 156.07809 137.6
[M]- 156.07919 137.6
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.