CID 5744779

N,n,n,n',n',n',2-heptamethyl-2-butene-1,4-diaminium dibromide

Structural Information

Molecular Formula
C11H26N2
SMILES
CC(/C=C/C[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C11H26N2/c1-11(13(5,6)7)9-8-10-12(2,3)4/h8-9,11H,10H2,1-7H3/q+2/b9-8+
InChIKey
YJIORWBZGOGZDD-CMDGGOBGSA-N
Compound name
trimethyl-[(E)-4-(trimethylazaniumyl)pent-2-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.2096 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.21688 138.2
[M+Na]+ 209.19882 143.7
[M-H]- 185.20232 141.7
[M+NH4]+ 204.24342 159.1
[M+K]+ 225.17276 133.6
[M+H-H2O]+ 169.20686 139.5
[M+HCOO]- 231.20780 160.6
[M+CH3COO]- 245.22345 184.8
[M+Na-2H]- 207.18427 149.7
[M]+ 186.20905 137.8
[M]- 186.21015 137.8
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

No patent data available for this compound.