CID 342403

3-hydroxybenzamide

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=CC(=CC(=C1)O)C(=O)N
InChI
InChI=1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
InChIKey
NGMMGKYJUWYIIG-UHFFFAOYSA-N
Compound name
3-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

934
Patents

137.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.0
[M+Na]+ 160.03690 132.9
[M-H]- 136.04040 127.4
[M+NH4]+ 155.08150 145.5
[M+K]+ 176.01084 131.0
[M+H-H2O]+ 120.04494 119.7
[M+HCOO]- 182.04588 148.8
[M+CH3COO]- 196.06153 172.0
[M+Na-2H]- 158.02235 131.0
[M]+ 137.04713 122.4
[M]- 137.04823 122.4
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