CID 81627

7207-40-1

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=C(C=C(C=C1)NCC(=O)N)O
InChI
InChI=1S/C9H12N2O2/c1-6-2-3-7(4-8(6)12)11-5-9(10)13/h2-4,11-12H,5H2,1H3,(H2,10,13)
InChIKey
VSSLBIBNTSJNSE-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methylanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

759
Patents

180.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.9
[M+Na]+ 203.079088 145.0
[M-H]- 179.082594 140.2
[M+NH4]+ 198.123693 156.6
[M+K]+ 219.053028 142.7
[M+H-H2O]+ 163.087130 131.9
[M+HCOO]- 225.088071 162.0
[M+CH3COO]- 239.103721 184.5
[M+Na-2H]- 201.064536 142.4
[M]+ 180.08932142 135.7
[M]- 180.09041858 135.7
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