CID 54053024

N-[4-(hydroxymethyl)-3-methylphenyl]acetamide

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(C=CC(=C1)NC(=O)C)CO
InChI
InChI=1S/C10H13NO2/c1-7-5-10(11-8(2)13)4-3-9(7)6-12/h3-5,12H,6H2,1-2H3,(H,11,13)
InChIKey
LUGUYMHBKVWFQP-UHFFFAOYSA-N
Compound name
N-[4-(hydroxymethyl)-3-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

179.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 138.1
[M+Na]+ 202.083858 145.7
[M-H]- 178.087364 140.9
[M+NH4]+ 197.128463 157.6
[M+K]+ 218.057798 143.6
[M+H-H2O]+ 162.091900 132.5
[M+HCOO]- 224.092841 161.5
[M+CH3COO]- 238.108491 182.2
[M+Na-2H]- 200.069306 142.9
[M]+ 179.09409142 137.9
[M]- 179.09518858 137.9
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