CID 400539

(r)-(-)-2-[(rs)-1-ethoxyethoxy]-1-propanol

Structural Information

Molecular Formula
C7H16O3
SMILES
CCOC(C)O[C@H](C)CO
InChI
InChI=1S/C7H16O3/c1-4-9-7(3)10-6(2)5-8/h6-8H,4-5H2,1-3H3/t6-,7?/m1/s1
InChIKey
VLECUSKDVHMJKF-ULUSZKPHSA-N
Compound name
(2R)-2-(1-ethoxyethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 132.4
[M+Na]+ 171.09916 141.2
[M+NH4]+ 166.14376 139.3
[M+K]+ 187.07310 137.5
[M-H]- 147.10266 130.5
[M+Na-2H]- 169.08461 134.6
[M]+ 148.10939 132.8
[M]- 148.11049 132.8
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