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

16
Patents

237.13649 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 155.1
[M+Na]+ 260.125708 161.3
[M-H]- 236.129214 156.2
[M+NH4]+ 255.170313 171.6
[M+K]+ 276.099648 158.7
[M+H-H2O]+ 220.133750 149.6
[M+HCOO]- 282.134691 174.6
[M+CH3COO]- 296.150341 191.4
[M+Na-2H]- 258.111156 158.7
[M]+ 237.13594142 155.2
[M]- 237.13703858 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