CID 168354

Hexanetriol

Structural Information

Molecular Formula
C6H14O3
SMILES
CCCCCC(O)(O)O
InChI
InChI=1S/C6H14O3/c1-2-3-4-5-6(7,8)9/h7-9H,2-5H2,1H3
InChIKey
TZMQHOJDDMFGQX-UHFFFAOYSA-N
Compound name
hexane-1,1,1-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

36917
Patents

134.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.10158 130.2
[M+Na]+ 157.08352 136.5
[M-H]- 133.08702 126.4
[M+NH4]+ 152.12812 150.1
[M+K]+ 173.05746 135.2
[M+H-H2O]+ 117.09156 126.6
[M+HCOO]- 179.09250 148.5
[M+CH3COO]- 193.10815 165.5
[M+Na-2H]- 155.06897 136.3
[M]+ 134.09375 129.5
[M]- 134.09485 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.