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]+ 205.097146 142.0
[M+Na]+ 227.079088 155.0
[M-H]- 203.082594 150.4
[M+NH4]+ 222.123693 156.6
[M+K]+ 243.053028 151.0
[M+H-H2O]+ 187.087130 135.4
[M+HCOO]- 249.088071 166.7
[M+CH3COO]- 263.103721 156.3
[M+Na-2H]- 225.064536 148.9
[M]+ 204.08932142 147.4
[M]- 204.09041858 147.4
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.