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]+ 209.11722 144.9
[M+Na]+ 231.09916 155.1
[M-H]- 207.10266 152.7
[M+NH4]+ 226.14376 164.7
[M+K]+ 247.07310 153.6
[M+H-H2O]+ 191.10720 141.5
[M+HCOO]- 253.10814 164.6
[M+CH3COO]- 267.12379 188.9
[M+Na-2H]- 229.08461 148.9
[M]+ 208.10939 151.0
[M]- 208.11049 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