CID 45167

2-(2-hydroxyethoxy)benzamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C(=C1)C(=O)N)OCCO
InChI
InChI=1S/C9H11NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-4,11H,5-6H2,(H2,10,12)
InChIKey
AKHALQJNHJAYRL-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

48
Patents

181.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.1
[M+Na]+ 204.06312 144.0
[M-H]- 180.06662 139.1
[M+NH4]+ 199.10772 155.8
[M+K]+ 220.03706 142.2
[M+H-H2O]+ 164.07116 131.1
[M+HCOO]- 226.07210 160.4
[M+CH3COO]- 240.08775 180.2
[M+Na-2H]- 202.04857 142.1
[M]+ 181.07335 136.7
[M]- 181.07445 136.7
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