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

61
Patents

200.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 149.3
[M+Na]+ 223.166848 153.2
[M-H]- 199.170354 151.5
[M+NH4]+ 218.211453 168.6
[M+K]+ 239.140788 152.3
[M+H-H2O]+ 183.174890 143.1
[M+HCOO]- 245.175831 168.9
[M+CH3COO]- 259.191481 186.7
[M+Na-2H]- 221.152296 152.2
[M]+ 200.17708142 149.3
[M]- 200.17817858 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