CID 737920

2-methyl-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=NC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C8H8N2O/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3
InChIKey
FECYTFWPNCBIHC-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

148.06366 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe