CID 12226

Ethyl isocyanide

Structural Information

Molecular Formula
C3H5N
SMILES
CC[N+]#[C-]
InChI
InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3
InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N
Compound name
isocyanoethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

989
Patents

55.0422 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 56.049476 110.2
[M+Na]+ 78.031418 120.4
[M-H]- 54.034924 110.5
[M+NH4]+ 73.076023 132.3
[M+K]+ 94.005358 115.8
[M+H-H2O]+ 38.039460 105.0
[M+HCOO]- 100.04040 130.8
[M+CH3COO]- 114.05605 165.6
[M+Na-2H]- 76.016866 119.4
[M]+ 55.041651 102.5
[M]- 55.042749 102.5
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