CID 94154

D-arabinitol

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-/m1/s1
InChIKey
HEBKCHPVOIAQTA-QWWZWVQMSA-N
Compound name
(2R,4R)-pentane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3872
References

178587
Patents

152.06847 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.075746 132.9
[M+Na]+ 175.057688 137.5
[M-H]- 151.061194 126.2
[M+NH4]+ 170.102293 150.1
[M+K]+ 191.031628 136.8
[M+H-H2O]+ 135.065730 128.7
[M+HCOO]- 197.066671 147.5
[M+CH3COO]- 211.082321 164.5
[M+Na-2H]- 173.043136 133.8
[M]+ 152.06792142 129.5
[M]- 152.06901858 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

literature stripe

Patent stripe

patents stripe