CID 93853

57938-79-1

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC=C(C(=C1)CNCC(=O)N)O
InChI
InChI=1S/C9H12N2O2/c10-9(13)6-11-5-7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H2,10,13)
InChIKey
PQXNDCCYQCMSTJ-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyphenyl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.8
[M+Na]+ 203.079088 143.9
[M-H]- 179.082594 139.7
[M+NH4]+ 198.123693 156.2
[M+K]+ 219.053028 141.6
[M+H-H2O]+ 163.087130 131.6
[M+HCOO]- 225.088071 161.9
[M+CH3COO]- 239.103721 183.2
[M+Na-2H]- 201.064536 143.0
[M]+ 180.08932142 135.2
[M]- 180.09041858 135.2
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