CID 62893036

5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CN(C)CC1=C(C=CC(=N1)N)Cl
InChI
InChI=1S/C8H12ClN3/c1-12(2)5-7-6(9)3-4-8(10)11-7/h3-4H,5H2,1-2H3,(H2,10,11)
InChIKey
OMGPCVZFDNSBRV-UHFFFAOYSA-N
Compound name
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07198 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 138.9
[M+Na]+ 208.061198 147.9
[M-H]- 184.064704 142.5
[M+NH4]+ 203.105803 158.6
[M+K]+ 224.035138 145.0
[M+H-H2O]+ 168.069240 132.8
[M+HCOO]- 230.070181 159.8
[M+CH3COO]- 244.085831 189.5
[M+Na-2H]- 206.046646 144.5
[M]+ 185.07143142 140.5
[M]- 185.07252858 140.5
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.