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

10824
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 144.4
[M+Na]+ 219.09916 152.1
[M-H]- 195.10266 149.9
[M+NH4]+ 214.14376 158.7
[M+K]+ 235.07310 151.0
[M+H-H2O]+ 179.10720 138.3
[M+HCOO]- 241.10814 161.9
[M+CH3COO]- 255.12379 188.2
[M+Na-2H]- 217.08461 148.6
[M]+ 196.10939 147.3
[M]- 196.11049 147.3
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