CID 10083511

164596-20-7

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h5-8H,1-4H3,(H,14,16)
InChIKey
XUFDEWYARHDJQD-UHFFFAOYSA-N
Compound name
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

251.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.9
[M+Na]+ 274.10497 166.4
[M+NH4]+ 269.14957 162.7
[M+K]+ 290.07891 162.8
[M-H]- 250.10847 156.8
[M+Na-2H]- 272.09042 161.3
[M]+ 251.11520 157.9
[M]- 251.11630 157.9
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