CID 11423741

1,3,5-cyclohexanetricarbonitrile

Structural Information

Molecular Formula
C9H9N3
SMILES
C1C(CC(CC1C#N)C#N)C#N
InChI
InChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2
InChIKey
VMUOSHREZKXCIV-UHFFFAOYSA-N
Compound name
cyclohexane-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

268
Patents

159.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 192.3
[M+Na]+ 182.06887 196.7
[M+NH4]+ 177.11347 191.1
[M+K]+ 198.04281 187.6
[M-H]- 158.07237 183.2
[M+Na-2H]- 180.05432 188.4
[M]+ 159.07910 189.2
[M]- 159.08020 189.2
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