CID 25982

1-(2-methoxypropoxy)propan-2-ol

Structural Information

Molecular Formula
C7H16O3
SMILES
CC(COCC(C)OC)O
InChI
InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
InChIKey
FOLPKOWCPVGUCA-UHFFFAOYSA-N
Compound name
1-(2-methoxypropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

428
Patents

148.10994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.117216 133.9
[M+Na]+ 171.099158 139.8
[M-H]- 147.102664 132.7
[M+NH4]+ 166.143763 154.6
[M+K]+ 187.073098 140.7
[M+H-H2O]+ 131.107200 129.2
[M+HCOO]- 193.108141 154.6
[M+CH3COO]- 207.123791 175.2
[M+Na-2H]- 169.084606 137.3
[M]+ 148.10939142 136.7
[M]- 148.11048858 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

literature stripe

Patent stripe

patents stripe