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]+ 183.101576 140.8
[M+Na]+ 205.083518 149.2
[M-H]- 181.087024 146.4
[M+NH4]+ 200.128123 155.8
[M+K]+ 221.057458 148.0
[M+H-H2O]+ 165.091560 134.7
[M+HCOO]- 227.092501 159.6
[M+CH3COO]- 241.108151 183.8
[M+Na-2H]- 203.068966 146.6
[M]+ 182.09375142 143.9
[M]- 182.09484858 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.