CID 113552

(isopropoxymethoxy)methanol

Structural Information

Molecular Formula
C5H12O3
SMILES
CC(C)OCOCO
InChI
InChI=1S/C5H12O3/c1-5(2)8-4-7-3-6/h5-6H,3-4H2,1-2H3
InChIKey
LHCRFMIUQHIZLC-UHFFFAOYSA-N
Compound name
propan-2-yloxymethoxymethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.085916 124.2
[M+Na]+ 143.067858 131.1
[M-H]- 119.071364 123.2
[M+NH4]+ 138.112463 146.0
[M+K]+ 159.041798 132.1
[M+H-H2O]+ 103.075900 119.9
[M+HCOO]- 165.076841 146.5
[M+CH3COO]- 179.092491 168.3
[M+Na-2H]- 141.053306 130.0
[M]+ 120.07809142 126.9
[M]- 120.07918858 126.9
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

No patent data available for this compound.