CID 22833331

1-(3-methoxypropoxy)propan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

662
Patents

148.10994 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe