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 164.4
[M+Na]+ 193.08619 169.6
[M-H]- 169.08969 168.2
[M+NH4]+ 188.13079 168.7
[M+K]+ 209.06013 166.4
[M+H-H2O]+ 153.09423 157.5
[M+HCOO]- 215.09517 164.8
[M+CH3COO]- 229.11082 242.4
[M+Na-2H]- 191.07164 162.1
[M]+ 170.09642 159.2
[M]- 170.09752 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