CID 146154974

2416236-09-2

Structural Information

Molecular Formula
C14H18O4
SMILES
CC(C)(C)OC(=O)C1=CC=CC=C1CCC(=O)O
InChI
InChI=1S/C14H18O4/c1-14(2,3)18-13(17)11-7-5-4-6-10(11)8-9-12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey
XMKIOLHKMYMKBY-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 156.7
[M+Na]+ 273.10973 163.0
[M-H]- 249.11323 158.9
[M+NH4]+ 268.15433 173.4
[M+K]+ 289.08367 161.4
[M+H-H2O]+ 233.11777 151.1
[M+HCOO]- 295.11871 175.9
[M+CH3COO]- 309.13436 192.0
[M+Na-2H]- 271.09518 159.6
[M]+ 250.11996 159.5
[M]- 250.12106 159.5
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.