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

11
Patents

146.0943 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 131.5
[M+Na]+ 169.083518 135.5
[M-H]- 145.087024 132.2
[M+NH4]+ 164.128123 149.8
[M+K]+ 185.057458 135.8
[M+H-H2O]+ 129.091560 126.4
[M+HCOO]- 191.092501 148.1
[M+CH3COO]- 205.108151 168.0
[M+Na-2H]- 167.068966 136.5
[M]+ 146.09375142 126.9
[M]- 146.09484858 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