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-methylpyridin-4-yl)-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]+ 192.14952 142.5
[M+Na]+ 214.13146 146.6
[M-H]- 190.13496 144.0
[M+NH4]+ 209.17606 155.9
[M+K]+ 230.10540 147.1
[M+H-H2O]+ 174.13950 132.8
[M+HCOO]- 236.14044 157.6
[M+CH3COO]- 250.15609 152.4
[M+Na-2H]- 212.11691 147.6
[M]+ 191.14169 133.5
[M]- 191.14279 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.