CID 45274957

Fema no. 4680

Structural Information

Molecular Formula
C13H26O
SMILES
CCC1C(CCC(O1)(C)CC)C(C)C
InChI
InChI=1S/C13H26O/c1-6-12-11(10(3)4)8-9-13(5,7-2)14-12/h10-12H,6-9H2,1-5H3
InChIKey
PSBALWGXLHHTHS-UHFFFAOYSA-N
Compound name
2,6-diethyl-2-methyl-5-propan-2-yloxane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

190
Patents

198.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 148.3
[M+Na]+ 221.187578 153.6
[M-H]- 197.191084 152.0
[M+NH4]+ 216.232183 168.9
[M+K]+ 237.161518 153.8
[M+H-H2O]+ 181.195620 143.7
[M+HCOO]- 243.196561 165.6
[M+CH3COO]- 257.212211 189.2
[M+Na-2H]- 219.173026 151.2
[M]+ 198.19781142 147.9
[M]- 198.19890858 147.9
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