CID 83913880

1-ethyl-1-isocyanatocyclopropane

Structural Information

Molecular Formula
C6H9NO
SMILES
CCC1(CC1)N=C=O
InChI
InChI=1S/C6H9NO/c1-2-6(3-4-6)7-5-8/h2-4H2,1H3
InChIKey
XJBXGMDWQPLDNY-UHFFFAOYSA-N
Compound name
1-ethyl-1-isocyanatocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.9
[M+Na]+ 134.05763 136.1
[M+NH4]+ 129.10223 134.4
[M+K]+ 150.03157 129.8
[M-H]- 110.06113 132.6
[M+Na-2H]- 132.04308 133.9
[M]+ 111.06786 129.2
[M]- 111.06896 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.