CID 24208848

880361-95-5

Structural Information

Molecular Formula
C11H17N3
SMILES
CC1=NC(=CC=C1)N2CCCNCC2
InChI
InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3
InChIKey
JKXRJULPFYHASQ-UHFFFAOYSA-N
Compound name
1-(6-methylpyridin-2-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.14224 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe