CID 38709

5-bromo-n-ethyl-2-hydroxy-3-methylbenzamide

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CCNC(=O)C1=C(C(=CC(=C1)Br)C)O
InChI
InChI=1S/C10H12BrNO2/c1-3-12-10(14)8-5-7(11)4-6(2)9(8)13/h4-5,13H,3H2,1-2H3,(H,12,14)
InChIKey
YPWPVPLDLYIPNI-UHFFFAOYSA-N
Compound name
5-bromo-N-ethyl-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.00513 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 147.9
[M+Na]+ 279.99435 159.1
[M-H]- 255.99785 153.3
[M+NH4]+ 275.03895 168.0
[M+K]+ 295.96829 147.5
[M+H-H2O]+ 240.00239 147.4
[M+HCOO]- 302.00333 168.5
[M+CH3COO]- 316.01898 193.3
[M+Na-2H]- 277.97980 152.8
[M]+ 257.00458 166.4
[M]- 257.00568 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe