CID 89909

N-(4-butyl-3-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCC1=C(C=C(C=C1)NC(=O)C)O
InChI
InChI=1S/C12H17NO2/c1-3-4-5-10-6-7-11(8-12(10)15)13-9(2)14/h6-8,15H,3-5H2,1-2H3,(H,13,14)
InChIKey
IPWMGFCGVAEIHP-UHFFFAOYSA-N
Compound name
N-(4-butyl-3-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.4
[M+Na]+ 230.115148 154.1
[M-H]- 206.118654 149.8
[M+NH4]+ 225.159753 165.8
[M+K]+ 246.089088 151.5
[M+H-H2O]+ 190.123190 141.4
[M+HCOO]- 252.124131 170.1
[M+CH3COO]- 266.139781 188.3
[M+Na-2H]- 228.100596 151.1
[M]+ 207.12538142 148.0
[M]- 207.12647858 148.0
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