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]+ 226.98146 141.6
[M+Na]+ 248.96340 145.7
[M+NH4]+ 244.00800 146.8
[M+K]+ 264.93734 147.1
[M-H]- 224.96690 143.6
[M+Na-2H]- 246.94885 144.7
[M]+ 225.97363 141.6
[M]- 225.97473 141.6
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.