CID 3017932

Decane-1,2,9,10-tetrol

Structural Information

Molecular Formula
C10H22O4
SMILES
C(CCCC(CO)O)CCC(CO)O
InChI
InChI=1S/C10H22O4/c11-7-9(13)5-3-1-2-4-6-10(14)8-12/h9-14H,1-8H2
InChIKey
DAFWFNCOQYVQDQ-UHFFFAOYSA-N
Compound name
decane-1,2,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

206.15181 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.159086 152.3
[M+Na]+ 229.141028 155.5
[M-H]- 205.144534 146.1
[M+NH4]+ 224.185633 168.3
[M+K]+ 245.114968 153.4
[M+H-H2O]+ 189.149070 147.2
[M+HCOO]- 251.150011 167.6
[M+CH3COO]- 265.165661 178.7
[M+Na-2H]- 227.126476 152.4
[M]+ 206.15126142 151.8
[M]- 206.15235858 151.8
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