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
2
Annotation Hits

3
References

421
Patents

153.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.2
[M+Na]+ 176.03181 136.5
[M-H]- 152.03531 129.5
[M+NH4]+ 171.07641 147.6
[M+K]+ 192.00575 134.4
[M+H-H2O]+ 136.03985 123.1
[M+HCOO]- 198.04079 150.6
[M+CH3COO]- 212.05644 172.9
[M+Na-2H]- 174.01726 133.0
[M]+ 153.04204 125.6
[M]- 153.04314 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