CID 17949580

N-[2-(4-hydroxyphenyl)ethyl]butanamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCC(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C12H17NO2/c1-2-3-12(15)13-9-8-10-4-6-11(14)7-5-10/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKey
UCELBUIXQQYTKJ-UHFFFAOYSA-N
Compound name
N-[2-(4-hydroxyphenyl)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.8
[M+Na]+ 230.115148 153.6
[M-H]- 206.118654 149.8
[M+NH4]+ 225.159753 165.9
[M+K]+ 246.089088 150.9
[M+H-H2O]+ 190.123190 141.5
[M+HCOO]- 252.124131 170.5
[M+CH3COO]- 266.139781 187.1
[M+Na-2H]- 228.100596 152.2
[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

literature stripe

Patent stripe

patents stripe