CID 103606

52188-21-3

Structural Information

Molecular Formula
C13H24O2
SMILES
CC(CC1CC2CCC1C2)C(OC)OC
InChI
InChI=1S/C13H24O2/c1-9(13(14-2)15-3)6-12-8-10-4-5-11(12)7-10/h9-13H,4-8H2,1-3H3
InChIKey
GMILGRDTJSDNAF-UHFFFAOYSA-N
Compound name
2-(3,3-dimethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 151.7
[M+Na]+ 235.16685 158.6
[M+NH4]+ 230.21145 160.5
[M+K]+ 251.14079 157.0
[M-H]- 211.17035 151.4
[M+Na-2H]- 233.15230 151.5
[M]+ 212.17708 152.3
[M]- 212.17818 152.3
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

No patent data available for this compound.