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)-3-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

220.1688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 151.2
[M+Na]+ 243.158018 155.5
[M-H]- 219.161524 153.8
[M+NH4]+ 238.202623 163.9
[M+K]+ 259.131958 156.5
[M+H-H2O]+ 203.166060 140.7
[M+HCOO]- 265.167001 167.8
[M+CH3COO]- 279.182651 160.9
[M+Na-2H]- 241.143466 155.0
[M]+ 220.16825142 143.1
[M]- 220.16934858 143.1
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