CID 28063945

1-(2-methylpyridin-4-yl)-1,4-diazepane

Structural Information

Molecular Formula
C11H17N3
SMILES
CC1=NC=CC(=C1)N2CCCNCC2
InChI
InChI=1S/C11H17N3/c1-10-9-11(3-5-13-10)14-7-2-4-12-6-8-14/h3,5,9,12H,2,4,6-8H2,1H3
InChIKey
IZLOJOPPJPNMRS-UHFFFAOYSA-N
Compound name
1-(2-methyl-4-pyridinyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 142.5
[M+Na]+ 214.131458 146.6
[M-H]- 190.134964 144.0
[M+NH4]+ 209.176063 155.9
[M+K]+ 230.105398 147.1
[M+H-H2O]+ 174.139500 132.8
[M+HCOO]- 236.140441 157.6
[M+CH3COO]- 250.156091 152.4
[M+Na-2H]- 212.116906 147.6
[M]+ 191.14169142 133.5
[M]- 191.14278858 133.5
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

No patent data available for this compound.