CID 2760508

1-(pyridin-4-yl)-1,4-diazepane dihydrochloride

Structural Information

Molecular Formula
C10H15N3
SMILES
C1CNCCN(C1)C2=CC=NC=C2
InChI
InChI=1S/C10H15N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5-6,11H,1,4,7-9H2
InChIKey
PKAOAQVMDURQAK-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

177.1266 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.133876 138.1
[M+Na]+ 200.115818 141.7
[M-H]- 176.119324 139.3
[M+NH4]+ 195.160423 151.6
[M+K]+ 216.089758 142.3
[M+H-H2O]+ 160.123860 128.3
[M+HCOO]- 222.124801 153.4
[M+CH3COO]- 236.140451 148.0
[M+Na-2H]- 198.101266 144.4
[M]+ 177.12605142 128.4
[M]- 177.12714858 128.4
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