CID 155971420

165950-02-7

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=C(C=C(C=C1)C(=O)O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H19NO4/c1-9-5-6-10(12(16)17)7-11(9)8-15-13(18)19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
KAZULRRBZZVWSO-UHFFFAOYSA-N
Compound name
4-methyl-3-[[(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 161.4
[M+Na]+ 288.12062 170.5
[M+NH4]+ 283.16522 166.6
[M+K]+ 304.09456 167.2
[M-H]- 264.12412 160.8
[M+Na-2H]- 286.10607 164.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.