CID 82570134

N1,n1-dimethylisoquinoline-1,6-diamine

Structural Information

Molecular Formula
C11H13N3
SMILES
CN(C)C1=NC=CC2=C1C=CC(=C2)N
InChI
InChI=1S/C11H13N3/c1-14(2)11-10-4-3-9(12)7-8(10)5-6-13-11/h3-7H,12H2,1-2H3
InChIKey
INHODQCQPXIMKS-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethylisoquinoline-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 139.7
[M+Na]+ 210.100168 148.1
[M-H]- 186.103674 144.3
[M+NH4]+ 205.144773 159.4
[M+K]+ 226.074108 145.7
[M+H-H2O]+ 170.108210 132.4
[M+HCOO]- 232.109151 164.2
[M+CH3COO]- 246.124801 192.2
[M+Na-2H]- 208.085616 147.8
[M]+ 187.11040142 139.3
[M]- 187.11149858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.