CID 637659

Isocyanatocyclopropane

Structural Information

Molecular Formula
C4H5NO
SMILES
C1CC1N=C=O
InChI
InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
InChIKey
DBBRJAWSDTYYBM-UHFFFAOYSA-N
Compound name
isocyanatocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

962
Patents

83.03712 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 114.6
[M+Na]+ 106.02634 126.9
[M+NH4]+ 101.07094 124.0
[M+K]+ 122.00028 122.6
[M-H]- 82.029844 123.2
[M+Na-2H]- 104.01179 123.5
[M]+ 83.036571 119.6
[M]- 83.037669 119.6
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