CID 590539

5676-60-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

148.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 125.9
[M+Na]+ 171.052878 137.4
[M-H]- 147.056384 130.6
[M+NH4]+ 166.097483 147.6
[M+K]+ 187.026818 135.7
[M+H-H2O]+ 131.060920 120.1
[M+HCOO]- 193.061861 151.4
[M+CH3COO]- 207.077511 141.5
[M+Na-2H]- 169.038326 135.1
[M]+ 148.06311142 128.1
[M]- 148.06420858 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