CID 252838

1,3,5-pentanetricarbonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
C(CC(CCC#N)C#N)C#N
InChI
InChI=1S/C8H9N3/c9-5-1-3-8(7-11)4-2-6-10/h8H,1-4H2
InChIKey
RXIMZKYZCDNHPG-UHFFFAOYSA-N
Compound name
pentane-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1265
Patents

147.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 156.3
[M+Na]+ 170.06887 163.3
[M-H]- 146.07237 159.9
[M+NH4]+ 165.11347 164.9
[M+K]+ 186.04281 162.0
[M+H-H2O]+ 130.07691 143.9
[M+HCOO]- 192.07785 162.0
[M+CH3COO]- 206.09350 232.1
[M+Na-2H]- 168.05432 156.0
[M]+ 147.07910 149.3
[M]- 147.08020 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe