CID 80219464

1521697-99-3

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC(C1=NC=C(C=C1)Cl)NC
InChI
InChI=1S/C8H11ClN2/c1-6(10-2)8-4-3-7(9)5-11-8/h3-6,10H,1-2H3
InChIKey
VUBSUCPNROIAGJ-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 134.0
[M+Na]+ 193.05030 142.5
[M-H]- 169.05380 136.4
[M+NH4]+ 188.09490 153.9
[M+K]+ 209.02424 139.1
[M+H-H2O]+ 153.05834 128.3
[M+HCOO]- 215.05928 153.1
[M+CH3COO]- 229.07493 181.6
[M+Na-2H]- 191.03575 140.8
[M]+ 170.06053 135.0
[M]- 170.06163 135.0
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.