CID 137740

Allyl isocyanide

Structural Information

Molecular Formula
C4H5N
SMILES
C=CC[N+]#[C-]
InChI
InChI=1S/C4H5N/c1-3-4-5-2/h3H,1,4H2
InChIKey
LXJDXBGQVSHLOJ-UHFFFAOYSA-N
Compound name
3-isocyanoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

67.0422 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 111.6
[M+Na]+ 90.031418 124.3
[M+NH4]+ 85.076023 117.7
[M+K]+ 106.00536 116.7
[M-H]- 66.034924 106.1
[M+Na-2H]- 88.016866 114.8
[M]+ 67.041651 111.0
[M]- 67.042749 111.0
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