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

46
Patents

148.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 125.5
[M+Na]+ 171.05288 136.1
[M-H]- 147.05638 129.8
[M+NH4]+ 166.09748 147.0
[M+K]+ 187.02682 134.5
[M+H-H2O]+ 131.06092 119.5
[M+HCOO]- 193.06186 151.1
[M+CH3COO]- 207.07751 140.8
[M+Na-2H]- 169.03833 135.5
[M]+ 148.06311 127.4
[M]- 148.06421 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