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
5
Annotation Hits

0
References

326
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 129.2
[M+Na]+ 179.03465 138.3
[M-H]- 155.03815 131.5
[M+NH4]+ 174.07925 149.7
[M+K]+ 195.00859 134.8
[M+H-H2O]+ 139.04269 123.6
[M+HCOO]- 201.04363 149.5
[M+CH3COO]- 215.05928 177.7
[M+Na-2H]- 177.02010 137.7
[M]+ 156.04488 130.4
[M]- 156.04598 130.4
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

patents stripe