CID 103606

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

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 156.6
[M+Na]+ 235.16685 161.0
[M-H]- 211.17035 158.6
[M+NH4]+ 230.21145 180.4
[M+K]+ 251.14079 160.1
[M+H-H2O]+ 195.17489 152.0
[M+HCOO]- 257.17583 174.8
[M+CH3COO]- 271.19148 190.4
[M+Na-2H]- 233.15230 155.7
[M]+ 212.17708 157.7
[M]- 212.17818 157.7
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.