CID 1482202

163808-09-1

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC(=C2C(=C1)OC=N2)N
InChI
InChI=1S/C7H6N2O/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H,8H2
InChIKey
DXNCTLORAFZVGQ-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 120.8
[M+Na]+ 157.037238 131.8
[M-H]- 133.040744 125.2
[M+NH4]+ 152.081843 142.7
[M+K]+ 173.011178 130.4
[M+H-H2O]+ 117.045280 114.9
[M+HCOO]- 179.046221 146.6
[M+CH3COO]- 193.061871 136.4
[M+Na-2H]- 155.022686 131.3
[M]+ 134.04747142 122.3
[M]- 134.04856858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe