CID 22064731

3-amino-1,2-benzisoxazole-6-methanamine

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC2=C(C=C1CN)ON=C2N
InChI
InChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,4,9H2,(H2,10,11)
InChIKey
GHYKJSGZYRADNG-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

163.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 130.0
[M+Na]+ 186.06377 140.6
[M-H]- 162.06727 134.2
[M+NH4]+ 181.10837 150.5
[M+K]+ 202.03771 138.5
[M+H-H2O]+ 146.07181 123.7
[M+HCOO]- 208.07275 155.9
[M+CH3COO]- 222.08840 144.7
[M+Na-2H]- 184.04922 138.6
[M]+ 163.07400 130.6
[M]- 163.07510 130.6
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

patents stripe