CID 3042581

Brn 1994575

Structural Information

Molecular Formula
C17H24O4
SMILES
CC(C)C(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)OC(C)C
InChI
InChI=1S/C17H24O4/c1-11(2)15(18)13-7-9-14(10-8-13)21-17(5,6)16(19)20-12(3)4/h7-12H,1-6H3
InChIKey
ANCZSHXMRHGCSY-UHFFFAOYSA-N
Compound name
propan-2-yl 2-methyl-2-[4-(2-methylpropanoyl)phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 168.0
[M+Na]+ 315.15667 172.9
[M-H]- 291.16017 171.3
[M+NH4]+ 310.20127 183.5
[M+K]+ 331.13061 172.7
[M+H-H2O]+ 275.16471 161.9
[M+HCOO]- 337.16565 185.8
[M+CH3COO]- 351.18130 206.0
[M+Na-2H]- 313.14212 167.7
[M]+ 292.16690 172.7
[M]- 292.16800 172.7
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.