CID 63032537

2-(pyrrolidin-3-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CNCC1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C11H12N2O/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChIKey
JNQZNLFYFBJNEC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 137.6
[M+Na]+ 211.084178 146.4
[M-H]- 187.087684 142.2
[M+NH4]+ 206.128783 157.1
[M+K]+ 227.058118 143.7
[M+H-H2O]+ 171.092220 130.6
[M+HCOO]- 233.093161 158.2
[M+CH3COO]- 247.108811 151.0
[M+Na-2H]- 209.069626 143.1
[M]+ 188.09441142 136.3
[M]- 188.09550858 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

No patent data available for this compound.