CID 11094883

120739-62-0

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CNCC1=CN=C(C=C1)Cl
InChI
InChI=1S/C7H9ClN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3
InChIKey
XALCOJXGWJXWBL-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

306
Patents

156.04543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.8
[M+Na]+ 179.03465 142.9
[M+NH4]+ 174.07925 138.3
[M+K]+ 195.00859 135.3
[M-H]- 155.03815 131.8
[M+Na-2H]- 177.02010 137.3
[M]+ 156.04488 132.0
[M]- 156.04598 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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