CID 166246

72175-33-8

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1(C(O1)C(=O)OC)C2CC3CC2C=C3
InChI
InChI=1S/C12H16O3/c1-12(10(15-12)11(13)14-2)9-6-7-3-4-8(9)5-7/h3-4,7-10H,5-6H2,1-2H3
InChIKey
PDYPVRXNANFCNW-UHFFFAOYSA-N
Compound name
methyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

208.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 147.8
[M+Na]+ 231.09916 158.8
[M+NH4]+ 226.14376 158.5
[M+K]+ 247.07310 156.8
[M-H]- 207.10266 157.2
[M+Na-2H]- 229.08461 153.4
[M]+ 208.10939 153.2
[M]- 208.11049 153.2
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