CID 38710

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

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CCCCNC(=O)C1=C(C(=CC(=C1)Br)C)O
InChI
InChI=1S/C12H16BrNO2/c1-3-4-5-14-12(16)10-7-9(13)6-8(2)11(10)15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKey
OXERTUUKTZDQPG-UHFFFAOYSA-N
Compound name
5-bromo-N-butyl-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03644 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 157.2
[M+Na]+ 308.02566 167.5
[M-H]- 284.02916 162.1
[M+NH4]+ 303.07026 176.1
[M+K]+ 323.99960 155.4
[M+H-H2O]+ 268.03370 156.2
[M+HCOO]- 330.03464 177.1
[M+CH3COO]- 344.05029 199.0
[M+Na-2H]- 306.01111 161.0
[M]+ 285.03589 176.3
[M]- 285.03699 176.3
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

No patent data available for this compound.