CID 6912

(2s,4r)-pentane-1,2,3,4,5-pentol

Structural Information

Molecular Formula
C5H12O5
SMILES
C([C@H](C([C@H](CO)O)O)O)O
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKey
HEBKCHPVOIAQTA-NGQZWQHPSA-N
Compound name
(2R,4S)-pentane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3872
References

176929
Patents

152.06847 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07575 132.9
[M+Na]+ 175.05769 137.5
[M-H]- 151.06119 126.2
[M+NH4]+ 170.10229 150.1
[M+K]+ 191.03163 136.8
[M+H-H2O]+ 135.06573 128.7
[M+HCOO]- 197.06667 147.5
[M+CH3COO]- 211.08232 164.5
[M+Na-2H]- 173.04314 133.8
[M]+ 152.06792 129.5
[M]- 152.06902 129.5
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

No patent data available for this compound.