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 151.2
[M+Na]+ 243.15802 155.5
[M-H]- 219.16152 153.8
[M+NH4]+ 238.20262 163.9
[M+K]+ 259.13196 156.5
[M+H-H2O]+ 203.16606 140.7
[M+HCOO]- 265.16700 167.8
[M+CH3COO]- 279.18265 160.9
[M+Na-2H]- 241.14347 155.0
[M]+ 220.16825 143.1
[M]- 220.16935 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