CID 113743

1-(2-ethoxyethoxy)propan-2-ol

Structural Information

Molecular Formula
C7H16O3
SMILES
CCOCCOCC(C)O
InChI
InChI=1S/C7H16O3/c1-3-9-4-5-10-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
IIZSMBZRUMDQGD-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

148.10994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.117216 133.5
[M+Na]+ 171.099158 139.6
[M-H]- 147.102664 132.2
[M+NH4]+ 166.143763 154.3
[M+K]+ 187.073098 140.1
[M+H-H2O]+ 131.107200 128.8
[M+HCOO]- 193.108141 155.2
[M+CH3COO]- 207.123791 174.3
[M+Na-2H]- 169.084606 138.3
[M]+ 148.10939142 137.0
[M]- 148.11048858 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

No literature data available for this compound.

Patent stripe

patents stripe