CID 22478609

1-(6-methylpyridazin-3-yl)-1,4-diazepane dihydrobromide

Structural Information

Molecular Formula
C10H16N4
SMILES
CC1=NN=C(C=C1)N2CCCNCC2
InChI
InChI=1S/C10H16N4/c1-9-3-4-10(13-12-9)14-7-2-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3
InChIKey
RCPGWBRVUXPUSD-UHFFFAOYSA-N
Compound name
1-(6-methylpyridazin-3-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

192.1375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 143.1
[M+Na]+ 215.12672 147.9
[M-H]- 191.13022 143.4
[M+NH4]+ 210.17132 155.2
[M+K]+ 231.10066 148.3
[M+H-H2O]+ 175.13476 132.1
[M+HCOO]- 237.13570 157.2
[M+CH3COO]- 251.15135 152.7
[M+Na-2H]- 213.11217 148.7
[M]+ 192.13695 134.4
[M]- 192.13805 134.4
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