CID 12279194

155204-08-3

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC=C2C(=C1)C(=NO2)CN
InChI
InChI=1S/C8H8N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5,9H2
InChIKey
NJPJEUXBRLCEDZ-UHFFFAOYSA-N
Compound name
1,2-benzoxazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

148.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 125.5
[M+Na]+ 171.052878 136.1
[M-H]- 147.056384 129.8
[M+NH4]+ 166.097483 147.0
[M+K]+ 187.026818 134.5
[M+H-H2O]+ 131.060920 119.5
[M+HCOO]- 193.061861 151.1
[M+CH3COO]- 207.077511 140.8
[M+Na-2H]- 169.038326 135.5
[M]+ 148.06311142 127.4
[M]- 148.06420858 127.4
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