CID 208876

Pentane-1,1,5,5-tetrol

Structural Information

Molecular Formula
C5H12O4
SMILES
C(CC(O)O)CC(O)O
InChI
InChI=1S/C5H12O4/c6-4(7)2-1-3-5(8)9/h4-9H,1-3H2
InChIKey
MQYIQOANLHJLJN-UHFFFAOYSA-N
Compound name
pentane-1,1,5,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

136.07356 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.080836 129.6
[M+Na]+ 159.062778 134.9
[M-H]- 135.066284 124.3
[M+NH4]+ 154.107383 148.4
[M+K]+ 175.036718 134.1
[M+H-H2O]+ 119.070820 125.5
[M+HCOO]- 181.071761 146.6
[M+CH3COO]- 195.087411 163.6
[M+Na-2H]- 157.048226 132.3
[M]+ 136.07301142 127.3
[M]- 136.07410858 127.3
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