CID 129626507

Tert-butyl (6-(4-hydroxyphenoxy)hexyl) carbonate

Structural Information

Molecular Formula
C17H26O5
SMILES
CC(C)(C)OC(=O)OCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C17H26O5/c1-17(2,3)22-16(19)21-13-7-5-4-6-12-20-15-10-8-14(18)9-11-15/h8-11,18H,4-7,12-13H2,1-3H3
InChIKey
IUTLMJUBBMAOBE-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4-hydroxyphenoxy)hexyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.178 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18528 175.7
[M+Na]+ 333.16722 180.5
[M-H]- 309.17072 177.2
[M+NH4]+ 328.21182 190.0
[M+K]+ 349.14116 179.0
[M+H-H2O]+ 293.17526 168.9
[M+HCOO]- 355.17620 194.9
[M+CH3COO]- 369.19185 202.4
[M+Na-2H]- 331.15267 178.3
[M]+ 310.17745 182.3
[M]- 310.17855 182.3
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.