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]+ 289.154676 165.1
[M+Na]+ 311.136618 168.7
[M-H]- 287.140124 169.4
[M+NH4]+ 306.181223 177.8
[M+K]+ 327.110558 161.0
[M+H-H2O]+ 271.144660 160.7
[M+HCOO]- 333.145601 180.0
[M+CH3COO]- 347.161251 185.5
[M+Na-2H]- 309.122066 170.0
[M]+ 288.14685142 158.5
[M]- 288.14794858 158.5
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.