CID 3024226

2,4-diethyloctane-1,5-diol

Structural Information

Molecular Formula
C12H26O2
SMILES
CCCC(C(CC)CC(CC)CO)O
InChI
InChI=1S/C12H26O2/c1-4-7-12(14)11(6-3)8-10(5-2)9-13/h10-14H,4-9H2,1-3H3
InChIKey
QDKYZXPQXKTGRB-UHFFFAOYSA-N
Compound name
2,4-diethyloctane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

202.19328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.20056 152.5
[M+Na]+ 225.18250 159.8
[M+NH4]+ 220.22710 158.6
[M+K]+ 241.15644 155.5
[M-H]- 201.18600 150.1
[M+Na-2H]- 223.16795 152.8
[M]+ 202.19273 152.4
[M]- 202.19383 152.4
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