CID 20113443

3-(2-aminoethyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCN
InChI
InChI=1S/C9H10N2O2/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6,10H2
InChIKey
YCVFPUDKJACOAJ-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-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 133.0
[M+Na]+ 201.06345 144.2
[M-H]- 177.06695 137.5
[M+NH4]+ 196.10805 153.4
[M+K]+ 217.03739 142.2
[M+H-H2O]+ 161.07149 126.9
[M+HCOO]- 223.07243 158.6
[M+CH3COO]- 237.08808 180.8
[M+Na-2H]- 199.04890 141.6
[M]+ 178.07368 136.3
[M]- 178.07478 136.3
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.