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]+ 213.184906 156.6
[M+Na]+ 235.166848 161.0
[M-H]- 211.170354 158.6
[M+NH4]+ 230.211453 180.4
[M+K]+ 251.140788 160.1
[M+H-H2O]+ 195.174890 152.0
[M+HCOO]- 257.175831 174.8
[M+CH3COO]- 271.191481 190.4
[M+Na-2H]- 233.152296 155.7
[M]+ 212.17708142 157.7
[M]- 212.17817858 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.