CID 165947643

En300-32908762

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=CC(=CC(=C1)C(=O)O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H19NO4/c1-9-5-10(7-11(6-9)12(16)17)8-15-13(18)19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
QSTIUPHQAQBPAH-UHFFFAOYSA-N
Compound name
3-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.7
[M+Na]+ 288.12062 167.0
[M-H]- 264.12412 163.2
[M+NH4]+ 283.16522 176.7
[M+K]+ 304.09456 165.6
[M+H-H2O]+ 248.12866 154.8
[M+HCOO]- 310.12960 180.9
[M+CH3COO]- 324.14525 197.8
[M+Na-2H]- 286.10607 163.2
[M]+ 265.13085 163.0
[M]- 265.13195 163.0
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.