CID 3077175

Brn 4351896

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC1=CC=CC=C1C(=O)CCCNCCO
InChI
InChI=1S/C14H21NO2/c1-2-12-6-3-4-7-13(12)14(17)8-5-9-15-10-11-16/h3-4,6-7,15-16H,2,5,8-11H2,1H3
InChIKey
VLTJWNBASQETRW-UHFFFAOYSA-N
Compound name
1-(2-ethylphenyl)-4-(2-hydroxyethylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.7
[M+Na]+ 258.14645 161.5
[M-H]- 234.14995 158.2
[M+NH4]+ 253.19105 173.5
[M+K]+ 274.12039 158.3
[M+H-H2O]+ 218.15449 149.9
[M+HCOO]- 280.15543 178.7
[M+CH3COO]- 294.17108 193.8
[M+Na-2H]- 256.13190 160.0
[M]+ 235.15668 157.7
[M]- 235.15778 157.7
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

No patent data available for this compound.