CID 605777

2,4-dit-butylphenyl 5-hydroxypentanoate

Structural Information

Molecular Formula
C19H30O3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC(=O)CCCCO)C(C)(C)C
InChI
InChI=1S/C19H30O3/c1-18(2,3)14-10-11-16(15(13-14)19(4,5)6)22-17(21)9-7-8-12-20/h10-11,13,20H,7-9,12H2,1-6H3
InChIKey
ZUILXYOZKNAZSJ-UHFFFAOYSA-N
Compound name
(2,4-ditert-butylphenyl) 5-hydroxypentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.21948 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 176.7
[M+Na]+ 329.20870 182.3
[M-H]- 305.21220 178.7
[M+NH4]+ 324.25330 191.8
[M+K]+ 345.18264 179.8
[M+H-H2O]+ 289.21674 171.1
[M+HCOO]- 351.21768 193.2
[M+CH3COO]- 365.23333 206.0
[M+Na-2H]- 327.19415 178.5
[M]+ 306.21893 181.0
[M]- 306.22003 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.