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

351
Patents

180.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 137.4
[M+Na]+ 203.104258 146.6
[M-H]- 179.107764 144.7
[M+NH4]+ 198.148863 156.3
[M+K]+ 219.078198 144.7
[M+H-H2O]+ 163.112300 132.7
[M+HCOO]- 225.113241 158.6
[M+CH3COO]- 239.128891 151.2
[M+Na-2H]- 201.089706 142.6
[M]+ 180.11449142 142.3
[M]- 180.11558858 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