CID 51944

Tetrapropargylammonium bromide

Structural Information

Molecular Formula
C12H12N
SMILES
C#CC[N+](CC#C)(CC#C)CC#C
InChI
InChI=1S/C12H12N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h1-4H,9-12H2/q+1
InChIKey
ADUTVMFRGJEYCU-UHFFFAOYSA-N
Compound name
tetrakis(prop-2-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.09697 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.104246 164.4
[M+Na]+ 193.086188 169.6
[M-H]- 169.089694 168.2
[M+NH4]+ 188.130793 168.7
[M+K]+ 209.060128 166.4
[M+H-H2O]+ 153.094230 157.5
[M+HCOO]- 215.095171 164.8
[M+CH3COO]- 229.110821 242.4
[M+Na-2H]- 191.071636 162.1
[M]+ 170.09642142 159.2
[M]- 170.09751858 159.2
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

patents stripe