CID 2735632

[3-(tert-butoxycarbonyl)amino-4-methoxy]benzoic acid

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-9-7-8(11(15)16)5-6-10(9)18-4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKey
HJRQIHYNWZEWHF-UHFFFAOYSA-N
Compound name
4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

267.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 158.7
[M+Na]+ 290.09992 165.3
[M-H]- 266.10342 161.4
[M+NH4]+ 285.14452 174.5
[M+K]+ 306.07386 164.8
[M+H-H2O]+ 250.10796 152.8
[M+HCOO]- 312.10890 179.5
[M+CH3COO]- 326.12455 197.0
[M+Na-2H]- 288.08537 162.0
[M]+ 267.11015 162.1
[M]- 267.11125 162.1
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

patents stripe