CID 3047549

1-isopropoxy-3-(o-tolyloxy)-2-propanol

Structural Information

Molecular Formula
C13H20O3
SMILES
CC1=CC=CC=C1OCC(COC(C)C)O
InChI
InChI=1S/C13H20O3/c1-10(2)15-8-12(14)9-16-13-7-5-4-6-11(13)3/h4-7,10,12,14H,8-9H2,1-3H3
InChIKey
LCTSOABYLNTYGL-UHFFFAOYSA-N
Compound name
1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.7
[M+Na]+ 247.13047 158.3
[M-H]- 223.13397 154.6
[M+NH4]+ 242.17507 170.4
[M+K]+ 263.10441 157.1
[M+H-H2O]+ 207.13851 146.5
[M+HCOO]- 269.13945 173.1
[M+CH3COO]- 283.15510 189.6
[M+Na-2H]- 245.11592 155.1
[M]+ 224.14070 155.7
[M]- 224.14180 155.7
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.