CID 46388

64037-15-6

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)N
InChI
InChI=1S/C8H8N2O/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)
InChIKey
JIWCNPTXYLRLIE-UHFFFAOYSA-N
Compound name
5-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
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 125.9
[M+Na]+ 171.05288 137.4
[M-H]- 147.05638 130.6
[M+NH4]+ 166.09748 147.6
[M+K]+ 187.02682 135.7
[M+H-H2O]+ 131.06092 120.1
[M+HCOO]- 193.06186 151.4
[M+CH3COO]- 207.07751 141.5
[M+Na-2H]- 169.03833 135.1
[M]+ 148.06311 128.1
[M]- 148.06421 128.1
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