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

4
Patents

178.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 133.0
[M+Na]+ 201.063448 144.2
[M-H]- 177.066954 137.5
[M+NH4]+ 196.108053 153.4
[M+K]+ 217.037388 142.2
[M+H-H2O]+ 161.071490 126.9
[M+HCOO]- 223.072431 158.6
[M+CH3COO]- 237.088081 180.8
[M+Na-2H]- 199.048896 141.6
[M]+ 178.07368142 136.3
[M]- 178.07477858 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

patents stripe