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]+ 171.10425 198.0
[M+Na]+ 193.08619 200.3
[M+NH4]+ 188.13079 196.6
[M+K]+ 209.06013 194.5
[M-H]- 169.08969 192.1
[M+Na-2H]- 191.07164 194.3
[M]+ 170.09642 196.1
[M]- 170.09752 196.1
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