CID 62292270

(5-chloro-6-methoxypyridin-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
COC1=C(C=C(C=N1)CN)Cl
InChI
InChI=1S/C7H9ClN2O/c1-11-7-6(8)2-5(3-9)4-10-7/h2,4H,3,9H2,1H3
InChIKey
LHRYKZSBGBYNPN-UHFFFAOYSA-N
Compound name
(5-chloro-6-methoxypyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.04034 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.5
[M+Na]+ 195.02956 142.6
[M-H]- 171.03306 134.8
[M+NH4]+ 190.07416 152.4
[M+K]+ 211.00350 139.2
[M+H-H2O]+ 155.03760 127.0
[M+HCOO]- 217.03854 152.5
[M+CH3COO]- 231.05419 180.2
[M+Na-2H]- 193.01501 139.2
[M]+ 172.03979 134.5
[M]- 172.04089 134.5
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