CID 7854

Propionitrile

Structural Information

Molecular Formula
C3H5N
SMILES
CCC#N
InChI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
InChIKey
FVSKHRXBFJPNKK-UHFFFAOYSA-N
Compound name
propanenitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

224
References

68994
Patents

55.0422 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 56.049476 108.2
[M+Na]+ 78.031418 119.5
[M+NH4]+ 73.076023 114.1
[M+K]+ 94.005358 110.9
[M-H]- 54.034924 101.7
[M+Na-2H]- 76.016866 111.8
[M]+ 55.041651 107.1
[M]- 55.042749 107.1
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