CID 65356708

1372875-59-6

Structural Information

Molecular Formula
C6H12O3
SMILES
C[C@@H](C1COCCO1)O
InChI
InChI=1S/C6H12O3/c1-5(7)6-4-8-2-3-9-6/h5-7H,2-4H2,1H3/t5-,6?/m0/s1
InChIKey
RZHOKKNAPROOJQ-ZBHICJROSA-N
Compound name
(1S)-1-(1,4-dioxan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

132.07864 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 126.7
[M+Na]+ 155.067858 131.6
[M-H]- 131.071364 129.7
[M+NH4]+ 150.112463 145.0
[M+K]+ 171.041798 134.1
[M+H-H2O]+ 115.075900 121.6
[M+HCOO]- 177.076841 144.2
[M+CH3COO]- 191.092491 167.7
[M+Na-2H]- 153.053306 133.8
[M]+ 132.07809142 124.3
[M]- 132.07918858 124.3
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