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 133.9
[M+Na]+ 171.09916 139.8
[M-H]- 147.10266 132.7
[M+NH4]+ 166.14376 154.6
[M+K]+ 187.07310 140.7
[M+H-H2O]+ 131.10720 129.2
[M+HCOO]- 193.10814 154.6
[M+CH3COO]- 207.12379 175.2
[M+Na-2H]- 169.08461 137.3
[M]+ 148.10939 136.7
[M]- 148.11049 136.7
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