CID 55262964

1-(5-chloro-2-methylpyridin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=C(C=C(C=N1)Cl)CN
InChI
InChI=1S/C7H9ClN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,3,9H2,1H3
InChIKey
UBOMUTCTZWHCQW-UHFFFAOYSA-N
Compound name
(5-chloro-2-methyl-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.04543 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 129.7
[M+Na]+ 179.034648 139.8
[M-H]- 155.038154 131.9
[M+NH4]+ 174.079253 150.2
[M+K]+ 195.008588 135.8
[M+H-H2O]+ 139.042690 124.4
[M+HCOO]- 201.043631 149.4
[M+CH3COO]- 215.059281 178.1
[M+Na-2H]- 177.020096 136.3
[M]+ 156.04488142 130.2
[M]- 156.04597858 130.2
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