CID 45810

M&b 2278

Structural Information

Molecular Formula
C19H36N2
SMILES
CC[N+](C)(CC)CCCC1=CC=C(C=C1)[N+](C)(CC)CC
InChI
InChI=1S/C19H36N2/c1-7-20(5,8-2)17-11-12-18-13-15-19(16-14-18)21(6,9-3)10-4/h13-16H,7-12,17H2,1-6H3/q+2
InChIKey
GFVGZHNSGPTFMQ-UHFFFAOYSA-N
Compound name
3-[4-[diethyl(methyl)azaniumyl]phenyl]propyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.28784 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 172.0
[M+Na]+ 315.27706 175.9
[M-H]- 291.28056 177.7
[M+NH4]+ 310.32166 188.6
[M+K]+ 331.25100 163.0
[M+H-H2O]+ 275.28510 170.6
[M+HCOO]- 337.28604 193.8
[M+CH3COO]- 351.30169 206.3
[M+Na-2H]- 313.26251 182.1
[M]+ 292.28729 173.8
[M]- 292.28839 173.8
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.