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

2312
Patents

119.04835 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.055626 153.5
[M+Na]+ 142.037568 160.7
[M-H]- 118.041074 157.2
[M+NH4]+ 137.082173 162.5
[M+K]+ 158.011508 159.7
[M+H-H2O]+ 102.045610 141.2
[M+HCOO]- 164.046551 159.4
[M+CH3COO]- 178.062201 229.9
[M+Na-2H]- 140.023016 153.5
[M]+ 119.04780142 146.2
[M]- 119.04889858 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