CID 57367253

156339-88-7

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)C=O)O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,8,12,14,16-17H,7H2,1-3H3
InChIKey
RNGYKBNYRUYCIV-UHFFFAOYSA-N
Compound name
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

237.13649 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.1
[M+Na]+ 260.12571 161.3
[M-H]- 236.12921 156.2
[M+NH4]+ 255.17031 171.6
[M+K]+ 276.09965 158.7
[M+H-H2O]+ 220.13375 149.6
[M+HCOO]- 282.13469 174.6
[M+CH3COO]- 296.15034 191.4
[M+Na-2H]- 258.11116 158.7
[M]+ 237.13594 155.2
[M]- 237.13704 155.2
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