CID 3077173

1-butanone, 4-((2-hydroxyethyl)amino)-1-phenyl-

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1=CC=C(C=C1)C(=O)CCCNCCO
InChI
InChI=1S/C12H17NO2/c14-10-9-13-8-4-7-12(15)11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKey
IBZUDAABQLCLLY-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.8
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 149.3
[M+NH4]+ 225.15975 165.4
[M+K]+ 246.08909 149.8
[M+H-H2O]+ 190.12319 141.2
[M+HCOO]- 252.12413 170.5
[M+CH3COO]- 266.13978 186.6
[M+Na-2H]- 228.10060 152.9
[M]+ 207.12538 147.6
[M]- 207.12648 147.6
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