CID 22309178

40512-50-3

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=CC(=CC=C1)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H19NO4/c1-9-6-5-7-10(8-9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKey
KLVVTGRHRBWUAO-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.0
[M+Na]+ 288.12062 166.1
[M-H]- 264.12412 163.2
[M+NH4]+ 283.16522 176.6
[M+K]+ 304.09456 165.2
[M+H-H2O]+ 248.12866 155.0
[M+HCOO]- 310.12960 180.2
[M+CH3COO]- 324.14525 197.4
[M+Na-2H]- 286.10607 163.0
[M]+ 265.13085 162.2
[M]- 265.13195 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.