CID 23358

3,4-diethylhexane-3,4-diol

Structural Information

Molecular Formula
C10H22O2
SMILES
CCC(CC)(C(CC)(CC)O)O
InChI
InChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKey
HDXDBVSPBNTNNA-UHFFFAOYSA-N
Compound name
3,4-diethylhexane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

174.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 142.9
[M+Na]+ 197.15121 151.0
[M+NH4]+ 192.19581 149.3
[M+K]+ 213.12515 147.3
[M-H]- 173.15471 140.0
[M+Na-2H]- 195.13666 144.7
[M]+ 174.16144 143.1
[M]- 174.16254 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe