CID 90843

Octane, 1-ethoxy-3,7-dimethyl-

Structural Information

Molecular Formula
C12H26O
SMILES
CCOCCC(C)CCCC(C)C
InChI
InChI=1S/C12H26O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey
HCHHIPCZJSRFRT-UHFFFAOYSA-N
Compound name
1-ethoxy-3,7-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

186.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.20564 150.5
[M+Na]+ 209.18758 154.8
[M-H]- 185.19108 149.9
[M+NH4]+ 204.23218 170.6
[M+K]+ 225.16152 154.5
[M+H-H2O]+ 169.19562 145.2
[M+HCOO]- 231.19656 170.6
[M+CH3COO]- 245.21221 189.1
[M+Na-2H]- 207.17303 151.8
[M]+ 186.19781 154.2
[M]- 186.19891 154.2
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