CID 215213

Brn 2753069

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1=C(C(=CC=C1)C(=O)O)OC(=O)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C17H24O4/c1-11-8-7-9-12(14(18)19)13(11)21-15(20)17(5,6)10-16(2,3)4/h7-9H,10H2,1-6H3,(H,18,19)
InChIKey
LIKVLPPQQFOMTB-UHFFFAOYSA-N
Compound name
3-methyl-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 169.2
[M+Na]+ 315.15667 178.6
[M+NH4]+ 310.20127 174.2
[M+K]+ 331.13061 175.6
[M-H]- 291.16017 167.7
[M+Na-2H]- 313.14212 172.1
[M]+ 292.16690 170.0
[M]- 292.16800 170.0
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

No patent data available for this compound.