CID 584120

1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC2=C(C=C1N)OC=N2
InChI
InChI=1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
InChIKey
ZJYIRVSPPOOPCL-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

134.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 120.8
[M+Na]+ 157.03724 131.8
[M-H]- 133.04074 125.2
[M+NH4]+ 152.08184 142.7
[M+K]+ 173.01118 130.4
[M+H-H2O]+ 117.04528 114.9
[M+HCOO]- 179.04622 146.6
[M+CH3COO]- 193.06187 136.4
[M+Na-2H]- 155.02269 131.3
[M]+ 134.04747 122.3
[M]- 134.04857 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