CID 139597690

2-[1-[2-[1-(2-hydroxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxy]propan-1-ol

Structural Information

Molecular Formula
C15H32O6
SMILES
CC(CO)OC(C)COCC(C)OC(C)COCC(C)O
InChI
InChI=1S/C15H32O6/c1-11(17)7-18-8-14(4)21-15(5)10-19-9-13(3)20-12(2)6-16/h11-17H,6-10H2,1-5H3
InChIKey
WOOAMANNNXAKON-UHFFFAOYSA-N
Compound name
2-[1-[2-[1-(2-hydroxypropoxy)propan-2-yloxy]propoxy]propan-2-yloxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21988 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.227156 179.2
[M+Na]+ 331.209098 180.4
[M-H]- 307.212604 175.1
[M+NH4]+ 326.253703 192.2
[M+K]+ 347.183038 181.7
[M+H-H2O]+ 291.217140 172.8
[M+HCOO]- 353.218081 193.4
[M+CH3COO]- 367.233731 205.3
[M+Na-2H]- 329.194546 174.4
[M]+ 308.21933142 185.5
[M]- 308.22042858 185.5
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.