CID 223995

2-methylquinoline-4,6-diamine

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)N)N
InChI
InChI=1S/C10H11N3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,11H2,1H3,(H2,12,13)
InChIKey
XKDPIURMGBVXAB-UHFFFAOYSA-N
Compound name
2-methylquinoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

173.09529 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 135.8
[M+Na]+ 196.084508 145.6
[M-H]- 172.088014 139.0
[M+NH4]+ 191.129113 155.5
[M+K]+ 212.058448 141.6
[M+H-H2O]+ 156.092550 129.2
[M+HCOO]- 218.093491 159.5
[M+CH3COO]- 232.109141 149.3
[M+Na-2H]- 194.069956 143.4
[M]+ 173.09474142 133.2
[M]- 173.09583858 133.2
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