CID 28689848

Tert-butyl 2-amino-4,5-dimethoxybenzoate

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)C1=CC(=C(C=C1N)OC)OC
InChI
InChI=1S/C13H19NO4/c1-13(2,3)18-12(15)8-6-10(16-4)11(17-5)7-9(8)14/h6-7H,14H2,1-5H3
InChIKey
NFNLOVAHHMUEFQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.0
[M+Na]+ 276.120628 165.0
[M-H]- 252.124134 160.9
[M+NH4]+ 271.165233 174.4
[M+K]+ 292.094568 164.5
[M+H-H2O]+ 236.128670 151.1
[M+HCOO]- 298.129611 179.2
[M+CH3COO]- 312.145261 198.5
[M+Na-2H]- 274.106076 160.0
[M]+ 253.13086142 161.6
[M]- 253.13195858 161.6
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.