CID 137935470

Rac-methyl (2e)-3-[(1r,2r,6s)-7-oxabicyclo[4.1.0]heptan-2-yl]prop-2-enoate

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 140.8
[M+Na]+ 205.08352 149.2
[M-H]- 181.08702 146.4
[M+NH4]+ 200.12812 155.8
[M+K]+ 221.05746 148.0
[M+H-H2O]+ 165.09156 134.7
[M+HCOO]- 227.09250 159.6
[M+CH3COO]- 241.10815 183.8
[M+Na-2H]- 203.06897 146.6
[M]+ 182.09375 143.9
[M]- 182.09485 143.9
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.