CID 21248644

1,2,3-propanetricarbonitrile

Structural Information

Molecular Formula
C6H5N3
SMILES
C(C#N)C(CC#N)C#N
InChI
InChI=1S/C6H5N3/c7-3-1-6(5-9)2-4-8/h6H,1-2H2
InChIKey
MNAMONWYCZEPTE-UHFFFAOYSA-N
Compound name
propane-1,2,3-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2625
Patents

119.04835 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 153.5
[M+Na]+ 142.03757 160.7
[M-H]- 118.04107 157.2
[M+NH4]+ 137.08217 162.5
[M+K]+ 158.01151 159.7
[M+H-H2O]+ 102.04561 141.2
[M+HCOO]- 164.04655 159.4
[M+CH3COO]- 178.06220 229.9
[M+Na-2H]- 140.02302 153.5
[M]+ 119.04780 146.2
[M]- 119.04890 146.2
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