CID 7127816

850375-15-4

Structural Information

Molecular Formula
C11H17N3
SMILES
CN1CCN(C2=C1C=CC(=C2)CN)C
InChI
InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3
InChIKey
TWGYATHIWDUKGY-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

191.14224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 144.6
[M+Na]+ 214.131458 152.7
[M-H]- 190.134964 145.8
[M+NH4]+ 209.176063 162.6
[M+K]+ 230.105398 149.1
[M+H-H2O]+ 174.139500 137.1
[M+HCOO]- 236.140441 163.3
[M+CH3COO]- 250.156091 188.4
[M+Na-2H]- 212.116906 150.2
[M]+ 191.14169142 141.6
[M]- 191.14278858 141.6
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