CID 5232958

Potassium tricyanomethanide

Structural Information

Molecular Formula
C4HN3
SMILES
C(#N)C(C#N)C#N
InChI
InChI=1S/C4HN3/c5-1-4(2-6)3-7/h4H
InChIKey
HFWIMJHBCIGYFH-UHFFFAOYSA-N
Compound name
methanetricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

1260
Patents

91.017044 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.024320 150.7
[M+Na]+ 114.00626 158.2
[M-H]- 90.009768 154.5
[M+NH4]+ 109.05087 160.0
[M+K]+ 129.98020 157.3
[M+H-H2O]+ 74.014304 138.5
[M+HCOO]- 136.01524 156.8
[M+CH3COO]- 150.03090 227.7
[M+Na-2H]- 111.99171 151.0
[M]+ 91.016495 143.1
[M]- 91.017593 143.1
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