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

22
Patents

200.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 147.7
[M+Na]+ 223.16685 153.0
[M-H]- 199.17035 150.7
[M+NH4]+ 218.21145 169.2
[M+K]+ 239.14079 152.9
[M+H-H2O]+ 183.17489 143.3
[M+HCOO]- 245.17583 165.8
[M+CH3COO]- 259.19148 186.6
[M+Na-2H]- 221.15230 152.7
[M]+ 200.17708 147.6
[M]- 200.17818 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