CID 22064731

368426-78-2

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

51
Patents

163.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.0
[M+Na]+ 186.063768 140.6
[M-H]- 162.067274 134.2
[M+NH4]+ 181.108373 150.5
[M+K]+ 202.037708 138.5
[M+H-H2O]+ 146.071810 123.7
[M+HCOO]- 208.072751 155.9
[M+CH3COO]- 222.088401 144.7
[M+Na-2H]- 184.049216 138.6
[M]+ 163.07400142 130.6
[M]- 163.07509858 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