CID 121494101

Myb5k91hkv

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(=C)C(=O)OCC1CC[C@@H]2[C@H](C1)O2
InChI
InChI=1S/C11H16O3/c1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9/h8-10H,1,3-6H2,2H3/t8?,9-,10+/m1/s1
InChIKey
FYYIUODUDSPAJQ-XVBQNVSMSA-N
Compound name
[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10203
Patents

196.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.5
[M+Na]+ 219.09916 154.7
[M+NH4]+ 214.14376 151.9
[M+K]+ 235.07310 151.6
[M-H]- 195.10266 152.2
[M+Na-2H]- 217.08461 148.3
[M]+ 196.10939 148.4
[M]- 196.11049 148.4
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