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

67
Patents

177.1266 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.13388 138.1
[M+Na]+ 200.11582 141.7
[M-H]- 176.11932 139.3
[M+NH4]+ 195.16042 151.6
[M+K]+ 216.08976 142.3
[M+H-H2O]+ 160.12386 128.3
[M+HCOO]- 222.12480 153.4
[M+CH3COO]- 236.14045 148.0
[M+Na-2H]- 198.10127 144.4
[M]+ 177.12605 128.4
[M]- 177.12715 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