CID 90471109

226889-46-9

Structural Information

Molecular Formula
C12H22O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C(C2)(OC)OC
InChI
InChI=1S/C12H22O2/c1-10(2)9-6-7-11(10,3)8-12(9,13-4)14-5/h9H,6-8H2,1-5H3/t9-,11-/m0/s1
InChIKey
FACDIMBUGYPIJY-ONGXEEELSA-N
Compound name
(1S,4S)-3,3-dimethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 144.4
[M+Na]+ 221.15121 153.9
[M-H]- 197.15471 148.0
[M+NH4]+ 216.19581 175.2
[M+K]+ 237.12515 152.0
[M+H-H2O]+ 181.15925 142.4
[M+HCOO]- 243.16019 165.1
[M+CH3COO]- 257.17584 186.1
[M+Na-2H]- 219.13666 150.0
[M]+ 198.16144 148.0
[M]- 198.16254 148.0
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.