CID 21698084

5-(chloromethyl)-n,n-dimethylpyridin-2-amine hydrochloride

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CN(C)C1=NC=C(C=C1)CCl
InChI
InChI=1S/C8H11ClN2/c1-11(2)8-4-3-7(5-9)6-10-8/h3-4,6H,5H2,1-2H3
InChIKey
WYIVUOHNYIKHEA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N,N-dimethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

170.06108 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 133.5
[M+Na]+ 193.05030 142.3
[M-H]- 169.05380 137.2
[M+NH4]+ 188.09490 154.1
[M+K]+ 209.02424 139.9
[M+H-H2O]+ 153.05834 127.4
[M+HCOO]- 215.05928 154.0
[M+CH3COO]- 229.07493 184.3
[M+Na-2H]- 191.03575 140.7
[M]+ 170.06053 136.4
[M]- 170.06163 136.4
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

patents stripe