CID 70403039

1-(oxan-4-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C7H14O3
SMILES
C1COCCC1C(CO)O
InChI
InChI=1S/C7H14O3/c8-5-7(9)6-1-3-10-4-2-6/h6-9H,1-5H2
InChIKey
AQEROXXQSDAJCU-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

146.0943 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.5
[M+Na]+ 169.08352 135.5
[M-H]- 145.08702 132.2
[M+NH4]+ 164.12812 149.8
[M+K]+ 185.05746 135.8
[M+H-H2O]+ 129.09156 126.4
[M+HCOO]- 191.09250 148.1
[M+CH3COO]- 205.10815 168.0
[M+Na-2H]- 167.06897 136.5
[M]+ 146.09375 126.9
[M]- 146.09485 126.9
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