CID 3020317

2-(isobutyl)quinoxaline

Structural Information

Molecular Formula
C12H14N2
SMILES
CC(C)CC1=NC2=CC=CC=C2N=C1
InChI
InChI=1S/C12H14N2/c1-9(2)7-10-8-13-11-5-3-4-6-12(11)14-10/h3-6,8-9H,7H2,1-2H3
InChIKey
AZIKLVKMNRNGPH-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

186.11569 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 141.2
[M+Na]+ 209.104908 149.6
[M-H]- 185.108414 142.9
[M+NH4]+ 204.149513 159.5
[M+K]+ 225.078848 146.2
[M+H-H2O]+ 169.112950 133.5
[M+HCOO]- 231.113891 161.1
[M+CH3COO]- 245.129541 185.2
[M+Na-2H]- 207.090356 149.3
[M]+ 186.11514142 141.7
[M]- 186.11623858 141.7
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