CID 21145

(m-phenylenebis(1-methylethylene))bis(trimethylammonium) dibromide

Structural Information

Molecular Formula
C18H34N2
SMILES
CC(C[N+](C)(C)C)C1=CC(=CC=C1)C(C)C[N+](C)(C)C
InChI
InChI=1S/C18H34N2/c1-15(13-19(3,4)5)17-10-9-11-18(12-17)16(2)14-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3/q+2
InChIKey
AUNRCYDOEMDORV-UHFFFAOYSA-N
Compound name
trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 164.8
[M+Na]+ 301.26142 168.6
[M-H]- 277.26492 170.9
[M+NH4]+ 296.30602 181.8
[M+K]+ 317.23536 157.0
[M+H-H2O]+ 261.26946 164.0
[M+HCOO]- 323.27040 185.1
[M+CH3COO]- 337.28605 204.4
[M+Na-2H]- 299.24687 173.3
[M]+ 278.27165 165.0
[M]- 278.27275 165.0
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.