CID 156588

75268-14-3

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC(=CC=C1C(=O)NCCO)O
InChI
InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-1-3-8(12)4-2-7/h1-4,11-12H,5-6H2,(H,10,13)
InChIKey
KSTDBMBMMLISJA-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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 137.3
[M+Na]+ 204.06312 143.9
[M-H]- 180.06662 138.4
[M+NH4]+ 199.10772 155.6
[M+K]+ 220.03706 141.6
[M+H-H2O]+ 164.07116 131.6
[M+HCOO]- 226.07210 159.8
[M+CH3COO]- 240.08775 177.7
[M+Na-2H]- 202.04857 142.8
[M]+ 181.07335 136.0
[M]- 181.07445 136.0
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