CID 42814

Brn 2105859

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CC1=CC(=CC(=C1O)C(=O)NC2CC2)Br
InChI
InChI=1S/C11H12BrNO2/c1-6-4-7(12)5-9(10(6)14)11(15)13-8-2-3-8/h4-5,8,14H,2-3H2,1H3,(H,13,15)
InChIKey
LTILHNGHWBCFLL-UHFFFAOYSA-N
Compound name
5-bromo-N-cyclopropyl-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 148.9
[M+Na]+ 291.99435 161.5
[M-H]- 267.99785 157.9
[M+NH4]+ 287.03895 164.0
[M+K]+ 307.96829 148.9
[M+H-H2O]+ 252.00239 147.9
[M+HCOO]- 314.00333 169.8
[M+CH3COO]- 328.01898 197.4
[M+Na-2H]- 289.97980 154.1
[M]+ 269.00458 168.3
[M]- 269.00568 168.3
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.