CID 28689848

Akos000297778

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]+ 254.13869 157.0
[M+Na]+ 276.12063 165.0
[M-H]- 252.12413 160.9
[M+NH4]+ 271.16523 174.4
[M+K]+ 292.09457 164.5
[M+H-H2O]+ 236.12867 151.1
[M+HCOO]- 298.12961 179.2
[M+CH3COO]- 312.14526 198.5
[M+Na-2H]- 274.10608 160.0
[M]+ 253.13086 161.6
[M]- 253.13196 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.