CID 43139986

2060063-88-7

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC(C1=CC2=C(C=C1)NC(=O)O2)N
InChI
InChI=1S/C9H10N2O2/c1-5(10)6-2-3-7-8(4-6)13-9(12)11-7/h2-5H,10H2,1H3,(H,11,12)
InChIKey
GRPHUVBYBPOPLW-UHFFFAOYSA-N
Compound name
6-(1-aminoethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 134.4
[M+Na]+ 201.06345 146.8
[M+NH4]+ 196.10805 142.2
[M+K]+ 217.03739 144.0
[M-H]- 177.06695 136.9
[M+Na-2H]- 199.04890 139.5
[M]+ 178.07368 136.7
[M]- 178.07478 136.7
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

No patent data available for this compound.