CID 3041356

P-hydroxyperisoxal

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H20N2O3/c19-13-6-4-12(5-7-13)16-10-14(17-21-16)15(20)11-18-8-2-1-3-9-18/h4-7,10,15,19-20H,1-3,8-9,11H2
InChIKey
ZTZPQJSJCOZVAV-UHFFFAOYSA-N
Compound name
4-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.8
[M+Na]+ 311.13662 171.2
[M-H]- 287.14012 171.3
[M+NH4]+ 306.18122 178.0
[M+K]+ 327.11056 168.1
[M+H-H2O]+ 271.14466 157.7
[M+HCOO]- 333.14560 181.4
[M+CH3COO]- 347.16125 176.2
[M+Na-2H]- 309.12207 167.7
[M]+ 288.14685 162.9
[M]- 288.14795 162.9
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.