CID 137935470

2287237-56-1

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)/C=C/[C@@H]1CCC[C@@H]2[C@H]1O2
InChI
InChI=1S/C10H14O3/c1-12-9(11)6-5-7-3-2-4-8-10(7)13-8/h5-8,10H,2-4H2,1H3/b6-5+/t7-,8+,10-/m0/s1
InChIKey
VWCAXIYPRXRZNK-OWGYTYNMSA-N
Compound name
methyl (E)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.7
[M+Na]+ 205.08352 151.6
[M+NH4]+ 200.12812 148.4
[M+K]+ 221.05746 147.8
[M-H]- 181.08702 148.7
[M+Na-2H]- 203.06897 145.1
[M]+ 182.09375 144.9
[M]- 182.09485 144.9
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.