CID 90843

1-ethoxy-3,7-dimethyloctane

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
3
Annotation Hits

0
References

29
Patents

186.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 150.5
[M+Na]+ 209.187578 154.8
[M-H]- 185.191084 149.9
[M+NH4]+ 204.232183 170.6
[M+K]+ 225.161518 154.5
[M+H-H2O]+ 169.195620 145.2
[M+HCOO]- 231.196561 170.6
[M+CH3COO]- 245.212211 189.1
[M+Na-2H]- 207.173026 151.8
[M]+ 186.19781142 154.2
[M]- 186.19890858 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