CID 4961930

885461-59-6

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CCNC(C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C12H14N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKey
CWSFHGFMFIJLDQ-UHFFFAOYSA-N
Compound name
2-piperidin-2-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 142.2
[M+Na]+ 225.09983 149.7
[M-H]- 201.10333 146.1
[M+NH4]+ 220.14443 159.2
[M+K]+ 241.07377 146.4
[M+H-H2O]+ 185.10787 134.2
[M+HCOO]- 247.10881 160.2
[M+CH3COO]- 261.12446 154.4
[M+Na-2H]- 223.08528 149.0
[M]+ 202.11006 138.9
[M]- 202.11116 138.9
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

No patent data available for this compound.