CID 20116152

1864064-59-4

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCCCN
InChI
InChI=1S/C11H14N2O2/c12-7-3-4-8-13-9-5-1-2-6-10(9)15-11(13)14/h1-2,5-6H,3-4,7-8,12H2
InChIKey
XADNFNHVLNQZST-UHFFFAOYSA-N
Compound name
3-(4-aminobutyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 142.9
[M+Na]+ 229.09475 155.8
[M+NH4]+ 224.13935 150.8
[M+K]+ 245.06869 151.3
[M-H]- 205.09825 146.0
[M+Na-2H]- 227.08020 148.4
[M]+ 206.10498 145.5
[M]- 206.10608 145.5
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.