CID 64814

3-hydroxy-3-phenylpentanamide

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCC(CC(=O)N)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKey
MOHYRCCDARWQRM-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3
Patents

193.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 149.3
[M-H]- 192.10300 145.2
[M+NH4]+ 211.14410 161.7
[M+K]+ 232.07344 146.9
[M+H-H2O]+ 176.10754 138.0
[M+HCOO]- 238.10848 164.5
[M+CH3COO]- 252.12413 183.3
[M+Na-2H]- 214.08495 148.9
[M]+ 193.10973 141.6
[M]- 193.11083 141.6
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