CID 139141

2,2-dimethoxybicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C9H16O2
SMILES
COC1(CC2CCC1C2)OC
InChI
InChI=1S/C9H16O2/c1-10-9(11-2)6-7-3-4-8(9)5-7/h7-8H,3-6H2,1-2H3
InChIKey
KQURPPICIBDUHU-UHFFFAOYSA-N
Compound name
2,2-dimethoxybicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.5
[M+Na]+ 179.10426 143.2
[M-H]- 155.10776 138.4
[M+NH4]+ 174.14886 163.7
[M+K]+ 195.07820 142.3
[M+H-H2O]+ 139.11230 132.0
[M+HCOO]- 201.11324 157.2
[M+CH3COO]- 215.12889 176.3
[M+Na-2H]- 177.08971 140.4
[M]+ 156.11449 136.7
[M]- 156.11559 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe