CID 28744777

[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C12H20N4
SMILES
CN1CCCN(CC1)C2=NC=C(C=C2)CN
InChI
InChI=1S/C12H20N4/c1-15-5-2-6-16(8-7-15)12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-9,13H2,1H3
InChIKey
POYAHDAVWOUPCC-UHFFFAOYSA-N
Compound name
[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.1688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 152.3
[M+Na]+ 243.15802 162.1
[M+NH4]+ 238.20262 159.0
[M+K]+ 259.13196 157.2
[M-H]- 219.16152 154.9
[M+Na-2H]- 241.14347 158.7
[M]+ 220.16825 154.3
[M]- 220.16935 154.3
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