CID 585938

Schembl11092328

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=C(N=C(C(=N1)C)CC(C2=CC=CO2)O)C
InChI
InChI=1S/C13H16N2O2/c1-8-9(2)15-11(10(3)14-8)7-12(16)13-5-4-6-17-13/h4-6,12,16H,7H2,1-3H3
InChIKey
YBXMBAYQDYMKRY-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.7
[M+Na]+ 255.110408 161.9
[M-H]- 231.113914 156.9
[M+NH4]+ 250.155013 168.2
[M+K]+ 271.084348 159.7
[M+H-H2O]+ 215.118450 145.1
[M+HCOO]- 277.119391 172.6
[M+CH3COO]- 291.135041 190.1
[M+Na-2H]- 253.095856 155.6
[M]+ 232.12064142 155.5
[M]- 232.12173858 155.5
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

patents stripe