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 144.8
[M-H]- 177.06695 137.6
[M+NH4]+ 196.10805 154.0
[M+K]+ 217.03739 142.5
[M+H-H2O]+ 161.07149 128.6
[M+HCOO]- 223.07243 157.4
[M+CH3COO]- 237.08808 179.3
[M+Na-2H]- 199.04890 141.3
[M]+ 178.07368 135.2
[M]- 178.07478 135.2
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.