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

539
Patents

306.24063 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.247906 181.2
[M+Na]+ 329.229848 182.7
[M-H]- 305.233354 178.3
[M+NH4]+ 324.274453 195.2
[M+K]+ 345.203788 183.5
[M+H-H2O]+ 289.237890 174.6
[M+HCOO]- 351.238831 197.4
[M+CH3COO]- 365.254481 207.7
[M+Na-2H]- 327.215296 177.5
[M]+ 306.24008142 189.0
[M]- 306.24117858 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