CID 14614092

Oxirane, ((bicyclo(2.2.1)hept-5-en-2-ylmethoxy)methyl)-

Structural Information

Molecular Formula
C11H16O2
SMILES
C1C2CC(C1C=C2)COCC3CO3
InChI
InChI=1S/C11H16O2/c1-2-9-3-8(1)4-10(9)5-12-6-11-7-13-11/h1-2,8-11H,3-7H2
InChIKey
GBNPJBBNCBLPQT-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

296
Patents

180.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 137.4
[M+Na]+ 203.10426 146.6
[M-H]- 179.10776 144.7
[M+NH4]+ 198.14886 156.3
[M+K]+ 219.07820 144.7
[M+H-H2O]+ 163.11230 132.7
[M+HCOO]- 225.11324 158.6
[M+CH3COO]- 239.12889 151.2
[M+Na-2H]- 201.08971 142.6
[M]+ 180.11449 142.3
[M]- 180.11559 142.3
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