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]+ 112.075686 122.9
[M+Na]+ 134.057628 133.0
[M-H]- 110.061134 129.5
[M+NH4]+ 129.102233 143.2
[M+K]+ 150.031568 132.5
[M+H-H2O]+ 94.065670 118.2
[M+HCOO]- 156.066611 149.7
[M+CH3COO]- 170.082261 175.8
[M+Na-2H]- 132.043076 132.2
[M]+ 111.06786142 126.8
[M]- 111.06895858 126.8
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.