CID 7680

2-phenylacetamide

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC=C(C=C1)CC(=O)N
InChI
InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N
Compound name
2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

73
References

34177
Patents

135.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 126.3
[M+Na]+ 158.057638 133.3
[M-H]- 134.061144 129.6
[M+NH4]+ 153.102243 147.4
[M+K]+ 174.031578 131.6
[M+H-H2O]+ 118.065680 120.6
[M+HCOO]- 180.066621 151.1
[M+CH3COO]- 194.082271 174.4
[M+Na-2H]- 156.043086 133.1
[M]+ 135.06787142 124.2
[M]- 135.06896858 124.2
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