CID 91710923

Salicylic acid, 1-methylpropyl ether, 1-methylpropyl ester

Structural Information

Molecular Formula
C15H22O3
SMILES
CCC(C)OC1=CC=CC=C1C(=O)OC(C)CC
InChI
InChI=1S/C15H22O3/c1-5-11(3)17-14-10-8-7-9-13(14)15(16)18-12(4)6-2/h7-12H,5-6H2,1-4H3
InChIKey
ATHLFFHWHCQLSV-UHFFFAOYSA-N
Compound name
butan-2-yl 2-butan-2-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 160.1
[M+Na]+ 273.146108 165.4
[M-H]- 249.149614 163.2
[M+NH4]+ 268.190713 177.3
[M+K]+ 289.120048 164.5
[M+H-H2O]+ 233.154150 153.5
[M+HCOO]- 295.155091 180.6
[M+CH3COO]- 309.170741 197.6
[M+Na-2H]- 271.131556 160.7
[M]+ 250.15634142 164.3
[M]- 250.15743858 164.3
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.