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
8
Annotation Hits

224
References

137975
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 105.0
[M+Na]+ 78.031418 115.3
[M-H]- 54.034924 106.6
[M+NH4]+ 73.076023 127.9
[M+K]+ 94.005358 115.6
[M+H-H2O]+ 38.039460 95.0
[M+HCOO]- 100.04040 126.4
[M+CH3COO]- 114.05605 174.0
[M+Na-2H]- 76.016866 113.9
[M]+ 55.041651 100.5
[M]- 55.042749 100.5
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