CID 52041

73664-19-4

Structural Information

Molecular Formula
C18H38N2
SMILES
CC[N+](CC)(CC)CCCC#CC[N+](CC)(CC)CC
InChI
InChI=1S/C18H38N2/c1-7-19(8-2,9-3)17-15-13-14-16-18-20(10-4,11-5)12-6/h7-13,15,17-18H2,1-6H3/q+2
InChIKey
JOORUABDVWZWJF-UHFFFAOYSA-N
Compound name
triethyl-[6-(triethylazaniumyl)hex-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.3035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 173.7
[M+Na]+ 305.29272 178.8
[M-H]- 281.29622 175.1
[M+NH4]+ 300.33732 189.0
[M+K]+ 321.26666 167.3
[M+H-H2O]+ 265.30076 167.1
[M+HCOO]- 327.30170 189.2
[M+CH3COO]- 341.31735 209.9
[M+Na-2H]- 303.27817 180.8
[M]+ 282.30295 171.0
[M]- 282.30405 171.0
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.