CID 2758008

Isocyanocyclopropane

Structural Information

Molecular Formula
C4H5N
SMILES
[C-]#[N+]C1CC1
InChI
InChI=1S/C4H5N/c1-5-4-2-3-4/h4H,2-3H2
InChIKey
AMIXWJQKUQVEEC-UHFFFAOYSA-N
Compound name
isocyanocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

67.0422 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 68.049476 106.5
[M+Na]+ 90.031418 122.1
[M-H]- 66.034924 112.1
[M+NH4]+ 85.076023 125.4
[M+K]+ 106.00536 113.6
[M+H-H2O]+ 50.039460 102.5
[M+HCOO]- 112.04040 129.0
[M+CH3COO]- 126.05605 170.8
[M+Na-2H]- 88.016866 117.7
[M]+ 67.041651 102.0
[M]- 67.042749 102.0
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