CID 45079000

188063-14-1

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC2=C(C=C1)N=C(O2)N
InChI
InChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey
HIZUIPJBTXPNHO-UHFFFAOYSA-N
Compound name
6-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

148.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.0
[M+Na]+ 171.05288 140.0
[M+NH4]+ 166.09748 135.3
[M+K]+ 187.02682 135.8
[M-H]- 147.05638 130.0
[M+Na-2H]- 169.03833 132.9
[M]+ 148.06311 129.1
[M]- 148.06421 129.1
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