CID 565573

1,4-bis(ethoxymethyl)cyclohexane

Structural Information

Molecular Formula
C12H24O2
SMILES
CCOCC1CCC(CC1)COCC
InChI
InChI=1S/C12H24O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h11-12H,3-10H2,1-2H3
InChIKey
DEROEFJZVPSIAO-UHFFFAOYSA-N
Compound name
1,4-bis(ethoxymethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

200.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 149.3
[M+Na]+ 223.16685 153.2
[M-H]- 199.17035 151.5
[M+NH4]+ 218.21145 168.6
[M+K]+ 239.14079 152.3
[M+H-H2O]+ 183.17489 143.1
[M+HCOO]- 245.17583 168.9
[M+CH3COO]- 259.19148 186.7
[M+Na-2H]- 221.15230 152.2
[M]+ 200.17708 149.3
[M]- 200.17818 149.3
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