CID 14817847

102840-39-1

Structural Information

Molecular Formula
C12H24O2
SMILES
CC1(CCCC(C1)C(C)(OC)OC)C
InChI
InChI=1S/C12H24O2/c1-11(2)8-6-7-10(9-11)12(3,13-4)14-5/h10H,6-9H2,1-5H3
InChIKey
SXQMZBACJKRJPX-UHFFFAOYSA-N
Compound name
3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

200.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 147.7
[M+Na]+ 223.166848 153.0
[M-H]- 199.170354 150.7
[M+NH4]+ 218.211453 169.2
[M+K]+ 239.140788 152.9
[M+H-H2O]+ 183.174890 143.3
[M+HCOO]- 245.175831 165.8
[M+CH3COO]- 259.191481 186.6
[M+Na-2H]- 221.152296 152.7
[M]+ 200.17708142 147.6
[M]- 200.17817858 147.6
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

patents stripe