CID 590596

2-methyl-5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=CN=C2CCCCC2=N1
InChI
InChI=1S/C9H12N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h6H,2-5H2,1H3
InChIKey
JSAHYTOSTYPFIJ-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

148.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.4
[M+Na]+ 171.089268 138.2
[M-H]- 147.092774 131.8
[M+NH4]+ 166.133873 150.2
[M+K]+ 187.063208 135.7
[M+H-H2O]+ 131.097310 123.0
[M+HCOO]- 193.098251 149.4
[M+CH3COO]- 207.113901 143.3
[M+Na-2H]- 169.074716 139.2
[M]+ 148.09950142 127.6
[M]- 148.10059858 127.6
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