CID 135908260

4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C)(C)CC(=O)O/N=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+
InChIKey
IRHAIEVALGHVLW-NTEUORMPSA-N
Compound name
[(E)-(4-hydroxyphenyl)methylideneamino] 3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.6
[M+Na]+ 258.11007 160.3
[M-H]- 234.11357 157.3
[M+NH4]+ 253.15467 171.5
[M+K]+ 274.08401 158.7
[M+H-H2O]+ 218.11811 147.5
[M+HCOO]- 280.11905 176.5
[M+CH3COO]- 294.13470 192.9
[M+Na-2H]- 256.09552 158.9
[M]+ 235.12030 156.2
[M]- 235.12140 156.2
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

No patent data available for this compound.