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]+ 186.07926 138.9
[M+Na]+ 208.06120 147.9
[M-H]- 184.06470 142.5
[M+NH4]+ 203.10580 158.6
[M+K]+ 224.03514 145.0
[M+H-H2O]+ 168.06924 132.8
[M+HCOO]- 230.07018 159.8
[M+CH3COO]- 244.08583 189.5
[M+Na-2H]- 206.04665 144.5
[M]+ 185.07143 140.5
[M]- 185.07253 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.