CID 76604

3,5-dihydroxybenzamide

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1=C(C=C(C=C1O)O)C(=O)N
InChI
InChI=1S/C7H7NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3,9-10H,(H2,8,11)
InChIKey
PLYYMFBDRBSPJZ-UHFFFAOYSA-N
Compound name
3,5-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

408
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.2
[M+Na]+ 176.031808 136.5
[M-H]- 152.035314 129.5
[M+NH4]+ 171.076413 147.6
[M+K]+ 192.005748 134.4
[M+H-H2O]+ 136.039850 123.1
[M+HCOO]- 198.040791 150.6
[M+CH3COO]- 212.056441 172.9
[M+Na-2H]- 174.017256 133.0
[M]+ 153.04204142 125.6
[M]- 153.04313858 125.6
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