CID 59379466

6-(aminomethyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC2=C(C=C1CN)OC(=O)N2
InChI
InChI=1S/C8H8N2O2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,4,9H2,(H,10,11)
InChIKey
JWYHOKXCOMTHIK-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 128.8
[M+Na]+ 187.047798 140.0
[M-H]- 163.051304 132.1
[M+NH4]+ 182.092403 149.0
[M+K]+ 203.021738 137.3
[M+H-H2O]+ 147.055840 123.1
[M+HCOO]- 209.056781 153.1
[M+CH3COO]- 223.072431 143.5
[M+Na-2H]- 185.033246 137.5
[M]+ 164.05803142 129.9
[M]- 164.05912858 129.9
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