CID 590605

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

Structural Information

Molecular Formula
C8H8N2O
SMILES
CNC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C8H8N2O/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKey
RNDXNZLSLYKBAX-UHFFFAOYSA-N
Compound name
N-methyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

108
Patents

148.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 125.1
[M+Na]+ 171.052878 135.6
[M-H]- 147.056384 129.9
[M+NH4]+ 166.097483 146.8
[M+K]+ 187.026818 134.4
[M+H-H2O]+ 131.060920 119.0
[M+HCOO]- 193.061861 151.3
[M+CH3COO]- 207.077511 140.6
[M+Na-2H]- 169.038326 136.1
[M]+ 148.06311142 127.9
[M]- 148.06420858 127.9
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