CID 72211048

(6-bromo-1,3-benzoxazol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1=CC2=C(C=C1Br)OC(=N2)CN
InChI
InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2
InChIKey
BHZNIRWKQALLSH-UHFFFAOYSA-N
Compound name
(6-bromo-1,3-benzoxazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 139.0
[M+Na]+ 248.963398 153.1
[M-H]- 224.966904 146.0
[M+NH4]+ 244.008003 161.0
[M+K]+ 264.937338 142.9
[M+H-H2O]+ 208.971440 138.8
[M+HCOO]- 270.972381 161.8
[M+CH3COO]- 284.988031 155.4
[M+Na-2H]- 246.948846 148.7
[M]+ 225.97363142 159.6
[M]- 225.97472858 159.6
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.