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

111
Patents

173.09529 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 135.2
[M+Na]+ 196.08451 148.8
[M+NH4]+ 191.12911 144.5
[M+K]+ 212.05845 142.0
[M-H]- 172.08801 139.2
[M+Na-2H]- 194.06996 142.6
[M]+ 173.09474 138.2
[M]- 173.09584 138.2
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