CID 64146923

Akos013465430

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=C(C(=CC=C1)C(C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H21NO4/c1-9-7-6-8-11(10(9)2)12(13(17)18)16-14(19)20-15(3,4)5/h6-8,12H,1-5H3,(H,16,19)(H,17,18)
InChIKey
PGUMSEVWHGYCTM-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.7
[M+Na]+ 302.13628 170.3
[M-H]- 278.13978 167.1
[M+NH4]+ 297.18088 180.1
[M+K]+ 318.11022 169.3
[M+H-H2O]+ 262.14432 158.8
[M+HCOO]- 324.14526 183.6
[M+CH3COO]- 338.16091 201.7
[M+Na-2H]- 300.12173 165.6
[M]+ 279.14651 166.7
[M]- 279.14761 166.7
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.