CID 11983731

895577-21-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

265.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.3
[M+Na]+ 288.12062 169.6
[M+NH4]+ 283.16522 166.4
[M+K]+ 304.09456 167.0
[M-H]- 264.12412 160.4
[M+Na-2H]- 286.10607 164.4
[M]+ 265.13085 161.8
[M]- 265.13195 161.8
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

patents stripe