CID 103605

2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C15H28O2
SMILES
CCOC(C(C)CC1CC2CCC1C2)OCC
InChI
InChI=1S/C15H28O2/c1-4-16-15(17-5-2)11(3)8-14-10-12-6-7-13(14)9-12/h11-15H,4-10H2,1-3H3
InChIKey
UPJXPVPMJFMWGQ-UHFFFAOYSA-N
Compound name
2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 166.1
[M+Na]+ 263.198138 169.6
[M-H]- 239.201644 167.7
[M+NH4]+ 258.242743 188.7
[M+K]+ 279.172078 168.2
[M+H-H2O]+ 223.206180 161.1
[M+HCOO]- 285.207121 183.6
[M+CH3COO]- 299.222771 196.3
[M+Na-2H]- 261.183586 164.0
[M]+ 240.20837142 167.8
[M]- 240.20946858 167.8
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

No patent data available for this compound.