CID 138005995

2241131-18-8

Structural Information

Molecular Formula
C17H25NO4
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CC(C)(C)C(=O)O
InChI
InChI=1S/C17H25NO4/c1-16(2,3)22-15(21)18-11-13-8-6-12(7-9-13)10-17(4,5)14(19)20/h6-9H,10-11H2,1-5H3,(H,18,21)(H,19,20)
InChIKey
OGXURWSVDJBCOG-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 173.7
[M+Na]+ 330.167558 178.1
[M-H]- 306.171064 175.5
[M+NH4]+ 325.212163 187.7
[M+K]+ 346.141498 176.6
[M+H-H2O]+ 290.175600 167.7
[M+HCOO]- 352.176541 191.3
[M+CH3COO]- 366.192191 205.9
[M+Na-2H]- 328.153006 176.5
[M]+ 307.17779142 176.1
[M]- 307.17888858 176.1
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.