CID 3016484

2-amino-n-(2-hydroxyethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC=C(C(=C1)C(=O)NCCO)N
InChI
InChI=1S/C9H12N2O2/c10-8-4-2-1-3-7(8)9(13)11-5-6-12/h1-4,12H,5-6,10H2,(H,11,13)
InChIKey
TWRJRCKCJRVPKH-UHFFFAOYSA-N
Compound name
2-amino-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

180.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.1
[M+Na]+ 203.07909 144.3
[M-H]- 179.08259 140.1
[M+NH4]+ 198.12369 156.6
[M+K]+ 219.05303 142.0
[M+H-H2O]+ 163.08713 131.9
[M+HCOO]- 225.08807 162.2
[M+CH3COO]- 239.10372 182.6
[M+Na-2H]- 201.06454 143.3
[M]+ 180.08932 135.4
[M]- 180.09042 135.4
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