CID 166246

Methyl 3-bicyclo(2.2.1)hept-5-en-2-yl-3-methyloxirane-2-carboxylate

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]+ 209.117216 144.9
[M+Na]+ 231.099158 155.1
[M-H]- 207.102664 152.7
[M+NH4]+ 226.143763 164.7
[M+K]+ 247.073098 153.6
[M+H-H2O]+ 191.107200 141.5
[M+HCOO]- 253.108141 164.6
[M+CH3COO]- 267.123791 188.9
[M+Na-2H]- 229.084606 148.9
[M]+ 208.10939142 151.0
[M]- 208.11048858 151.0
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