CID 170910047

2156647-71-9

Structural Information

Molecular Formula
C14H18FNO4
SMILES
CC1=CC(=C(C=C1)C(C(=O)O)NC(=O)OC(C)(C)C)F
InChI
InChI=1S/C14H18FNO4/c1-8-5-6-9(10(15)7-8)11(12(17)18)16-13(19)20-14(2,3)4/h5-7,11H,1-4H3,(H,16,19)(H,17,18)
InChIKey
ZDWQBALKQKECNT-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12198 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.129256 163.0
[M+Na]+ 306.111198 169.1
[M-H]- 282.114704 164.2
[M+NH4]+ 301.155803 178.1
[M+K]+ 322.085138 167.8
[M+H-H2O]+ 266.119240 156.3
[M+HCOO]- 328.120181 181.1
[M+CH3COO]- 342.135831 201.4
[M+Na-2H]- 304.096646 163.8
[M]+ 283.12143142 163.5
[M]- 283.12252858 163.5
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.