CID 46035

63981-95-3

Structural Information

Molecular Formula
C17H32N2
SMILES
CC[N+](C)(C)CCCC1=CC=C(C=C1)[N+](C)(C)CC
InChI
InChI=1S/C17H32N2/c1-7-18(3,4)15-9-10-16-11-13-17(14-12-16)19(5,6)8-2/h11-14H,7-10,15H2,1-6H3/q+2
InChIKey
SZWVXTAXCXFUFW-UHFFFAOYSA-N
Compound name
ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]phenyl]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.25656 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.26384 162.4
[M+Na]+ 287.24578 167.1
[M-H]- 263.24928 168.5
[M+NH4]+ 282.29038 180.1
[M+K]+ 303.21972 154.7
[M+H-H2O]+ 247.25382 161.4
[M+HCOO]- 309.25476 184.9
[M+CH3COO]- 323.27041 200.3
[M+Na-2H]- 285.23123 173.5
[M]+ 264.25601 163.5
[M]- 264.25711 163.5
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.