CID 82231243

7-bromo-n-methyl-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CNC1=NC2=C(O1)C(=CC=C2)Br
InChI
InChI=1S/C8H7BrN2O/c1-10-8-11-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKey
GJYJDVGYKFTNRW-UHFFFAOYSA-N
Compound name
7-bromo-N-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 138.2
[M+Na]+ 248.96340 152.3
[M-H]- 224.96690 145.6
[M+NH4]+ 244.00800 160.4
[M+K]+ 264.93734 142.4
[M+H-H2O]+ 208.97144 138.0
[M+HCOO]- 270.97238 161.6
[M+CH3COO]- 284.98803 154.8
[M+Na-2H]- 246.94885 148.8
[M]+ 225.97363 159.7
[M]- 225.97473 159.7
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.