CID 618943

Formic acid, 2,4,6-tri-t-butyl-phenyl ester

Structural Information

Molecular Formula
C19H30O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC=O)C(C)(C)C
InChI
InChI=1S/C19H30O2/c1-17(2,3)13-10-14(18(4,5)6)16(21-12-20)15(11-13)19(7,8)9/h10-12H,1-9H3
InChIKey
JVDZBXHPIJBZCC-UHFFFAOYSA-N
Compound name
(2,4,6-tritert-butylphenyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

290.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 169.7
[M+Na]+ 313.213798 177.5
[M-H]- 289.217304 173.9
[M+NH4]+ 308.258403 186.9
[M+K]+ 329.187738 175.5
[M+H-H2O]+ 273.221840 165.1
[M+HCOO]- 335.222781 187.0
[M+CH3COO]- 349.238431 207.6
[M+Na-2H]- 311.199246 173.9
[M]+ 290.22403142 175.1
[M]- 290.22512858 175.1
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