CID 503985

2,7-quinolinediamine, n7,n7-dimethyl-

Structural Information

Molecular Formula
C11H13N3
SMILES
CN(C)C1=CC2=C(C=C1)C=CC(=N2)N
InChI
InChI=1S/C11H13N3/c1-14(2)9-5-3-8-4-6-11(12)13-10(8)7-9/h3-7H,1-2H3,(H2,12,13)
InChIKey
MBFDRIJGUMKXRG-UHFFFAOYSA-N
Compound name
7-N,7-N-dimethylquinoline-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

187.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 139.7
[M+Na]+ 210.10017 148.1
[M-H]- 186.10367 144.3
[M+NH4]+ 205.14477 159.4
[M+K]+ 226.07411 145.7
[M+H-H2O]+ 170.10821 132.4
[M+HCOO]- 232.10915 164.2
[M+CH3COO]- 246.12480 192.2
[M+Na-2H]- 208.08562 147.8
[M]+ 187.11040 139.3
[M]- 187.11150 139.3
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