CID 81515

2,3-quinoxalinedimethanol

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)CO)CO
InChI
InChI=1S/C10H10N2O2/c13-5-9-10(6-14)12-8-4-2-1-3-7(8)11-9/h1-4,13-14H,5-6H2
InChIKey
CXWKUERQWZYVDY-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)quinoxalin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

190.07423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 139.4
[M+Na]+ 213.063448 148.8
[M-H]- 189.066954 139.0
[M+NH4]+ 208.108053 156.3
[M+K]+ 229.037388 144.8
[M+H-H2O]+ 173.071490 132.4
[M+HCOO]- 235.072431 158.3
[M+CH3COO]- 249.088081 178.4
[M+Na-2H]- 211.048896 148.1
[M]+ 190.07368142 139.4
[M]- 190.07477858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe