CID 61307511

6-amino-3-(cyclopropylmethyl)-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CC1CN2C3=C(C=C(C=C3)N)OC2=O
InChI
InChI=1S/C11H12N2O2/c12-8-3-4-9-10(5-8)15-11(14)13(9)6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKey
YYYJCGRRDMDFPQ-UHFFFAOYSA-N
Compound name
6-amino-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 144.0
[M+Na]+ 227.07909 158.9
[M+NH4]+ 222.12369 153.0
[M+K]+ 243.05303 155.9
[M-H]- 203.08259 155.5
[M+Na-2H]- 225.06454 152.8
[M]+ 204.08932 150.5
[M]- 204.09042 150.5
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.