CID 81313

2-(2-propoxyethoxy)ethanol

Structural Information

Molecular Formula
C7H16O3
SMILES
CCCOCCOCCO
InChI
InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3
InChIKey
DJCYDDALXPHSHR-UHFFFAOYSA-N
Compound name
2-(2-propoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

28577
Patents

148.10994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 132.9
[M+Na]+ 171.09916 139.2
[M-H]- 147.10266 131.5
[M+NH4]+ 166.14376 153.7
[M+K]+ 187.07310 139.3
[M+H-H2O]+ 131.10720 128.1
[M+HCOO]- 193.10814 155.6
[M+CH3COO]- 207.12379 173.5
[M+Na-2H]- 169.08461 138.9
[M]+ 148.10939 137.0
[M]- 148.11049 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe