CID 171119204

Albanitrile f

Structural Information

Molecular Formula
C16H16N2
SMILES
C(CCC#N)CC#CC#CC#CCCCCC#N
InChI
InChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2
InChIKey
NUFBVQIZVSDVFZ-UHFFFAOYSA-N
Compound name
hexadeca-6,8,10-triynedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 148.0
[M+Na]+ 259.12057 150.7
[M-H]- 235.12407 150.9
[M+NH4]+ 254.16517 149.8
[M+K]+ 275.09451 149.4
[M+H-H2O]+ 219.12861 144.3
[M+HCOO]- 281.12955 147.9
[M+CH3COO]- 295.14520 251.2
[M+Na-2H]- 257.10602 145.9
[M]+ 236.13080 145.7
[M]- 236.13190 145.7
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.