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

16
Patents

192.1375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.144776 143.1
[M+Na]+ 215.126718 147.9
[M-H]- 191.130224 143.4
[M+NH4]+ 210.171323 155.2
[M+K]+ 231.100658 148.3
[M+H-H2O]+ 175.134760 132.1
[M+HCOO]- 237.135701 157.2
[M+CH3COO]- 251.151351 152.7
[M+Na-2H]- 213.112166 148.7
[M]+ 192.13695142 134.4
[M]- 192.13804858 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