CID 30112

20324-34-9

Structural Information

Molecular Formula
C13H28O5
SMILES
CC(COC(C)COC(C)COC(C)COC)O
InChI
InChI=1S/C13H28O5/c1-10(14)6-16-12(3)8-18-13(4)9-17-11(2)7-15-5/h10-14H,6-9H2,1-5H3
InChIKey
UTHSRMJVXNYLKG-UHFFFAOYSA-N
Compound name
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

467
Patents

264.19366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.200936 167.3
[M+Na]+ 287.182878 170.1
[M-H]- 263.186384 165.0
[M+NH4]+ 282.227483 183.0
[M+K]+ 303.156818 171.6
[M+H-H2O]+ 247.190920 161.2
[M+HCOO]- 309.191861 184.5
[M+CH3COO]- 323.207511 198.9
[M+Na-2H]- 285.168326 165.1
[M]+ 264.19311142 174.0
[M]- 264.19420858 174.0
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