CID 44150341

2,5,8,11-tetramethyl-3,6,9,12-tetraoxahexadecan-1-ol

Structural Information

Molecular Formula
C16H34O5
SMILES
CCCCOC(C)COC(C)COC(C)COC(C)CO
InChI
InChI=1S/C16H34O5/c1-6-7-8-18-14(3)10-20-16(5)12-21-15(4)11-19-13(2)9-17/h13-17H,6-12H2,1-5H3
InChIKey
PCCUVQJBCDUUMM-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

614
Patents

306.24063 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.24791 181.2
[M+Na]+ 329.22985 182.7
[M-H]- 305.23335 178.3
[M+NH4]+ 324.27445 195.2
[M+K]+ 345.20379 183.5
[M+H-H2O]+ 289.23789 174.6
[M+HCOO]- 351.23883 197.4
[M+CH3COO]- 365.25448 207.7
[M+Na-2H]- 327.21530 177.5
[M]+ 306.24008 189.0
[M]- 306.24118 189.0
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