CID 161394

22560-59-4

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)C(=O)N)O
InChI
InChI=1S/C13H20N2O3/c1-13(2,3)15-7-11(17)8-4-5-10(16)9(6-8)12(14)18/h4-6,11,15-17H,7H2,1-3H3,(H2,14,18)
InChIKey
XJSJWMNGCFMVJB-UHFFFAOYSA-N
Compound name
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

252.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.5
[M+Na]+ 275.136618 164.4
[M-H]- 251.140124 160.0
[M+NH4]+ 270.181223 174.6
[M+K]+ 291.110558 162.2
[M+H-H2O]+ 235.144660 153.6
[M+HCOO]- 297.145601 178.3
[M+CH3COO]- 311.161251 197.2
[M+Na-2H]- 273.122066 161.0
[M]+ 252.14685142 157.0
[M]- 252.14794858 157.0
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