CID 128930

4-hydroxy-4-phenylhexanamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCC(CCC(=O)N)(C1=CC=CC=C1)O
InChI
InChI=1S/C12H17NO2/c1-2-12(15,9-8-11(13)14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,13,14)
InChIKey
BBCCWJBOCIVAJN-UHFFFAOYSA-N
Compound name
4-hydroxy-4-phenylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

5
Patents

207.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.3
[M+Na]+ 230.11515 153.5
[M-H]- 206.11865 149.6
[M+NH4]+ 225.15975 165.8
[M+K]+ 246.08909 150.8
[M+H-H2O]+ 190.12319 142.4
[M+HCOO]- 252.12413 168.8
[M+CH3COO]- 266.13978 186.3
[M+Na-2H]- 228.10060 153.0
[M]+ 207.12538 146.6
[M]- 207.12648 146.6
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