CID 14055

Cyanoacetylene

Structural Information

Molecular Formula
C3HN
SMILES
C#CC#N
InChI
InChI=1S/C3HN/c1-2-3-4/h1H
InChIKey
LNDJVIYUJOJFSO-UHFFFAOYSA-N
Compound name
prop-2-ynenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

3311
Patents

51.0109 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 52.018176 122.2
[M+Na]+ 74.000118 132.7
[M-H]- 50.003624 124.4
[M+NH4]+ 69.044723 138.9
[M+K]+ 89.974058 131.5
[M+H-H2O]+ 34.008160 109.4
[M+HCOO]- 96.009101 134.7
[M+CH3COO]- 110.02475 196.7
[M+Na-2H]- 71.985566 127.4
[M]+ 51.010351 114.1
[M]- 51.011449 114.1
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