CID 3043591

55798-56-6

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CC[N+](CC1)(CC(C2=NOC(=C2)C3=CC=CC=C3)O)[O-]
InChI
InChI=1S/C16H20N2O3/c19-15(12-18(20)9-5-2-6-10-18)14-11-16(21-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2
InChIKey
ZRXNBVCGROYKDM-UHFFFAOYSA-N
Compound name
2-(1-oxidopiperidin-1-ium-1-yl)-1-(5-phenyl-1,2-oxazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.2
[M+Na]+ 311.13662 179.6
[M+NH4]+ 306.18122 175.4
[M+K]+ 327.11056 175.3
[M-H]- 287.14012 172.3
[M+Na-2H]- 309.12207 174.5
[M]+ 288.14685 169.9
[M]- 288.14795 169.9
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.