CID 736331

2-acetyl-4-butyramidophenol

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCCC(=O)NC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)
InChIKey
FGWZEOPEZISTTR-UHFFFAOYSA-N
Compound name
N-(3-acetyl-4-hydroxyphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

52
Patents

221.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.1
[M+Na]+ 244.094418 155.8
[M-H]- 220.097924 151.6
[M+NH4]+ 239.139023 166.7
[M+K]+ 260.068358 153.7
[M+H-H2O]+ 204.102460 143.1
[M+HCOO]- 266.103401 171.3
[M+CH3COO]- 280.119051 190.5
[M+Na-2H]- 242.079866 151.6
[M]+ 221.10465142 149.8
[M]- 221.10574858 149.8
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