CID 105428199

(1r,3r)-1-ethoxy-3-isocyanatocyclobutane

Structural Information

Molecular Formula
C7H11NO2
SMILES
CCOC1CC(C1)N=C=O
InChI
InChI=1S/C7H11NO2/c1-2-10-7-3-6(4-7)8-5-9/h6-7H,2-4H2,1H3
InChIKey
GYAZPMYJDKUESZ-UHFFFAOYSA-N
Compound name
1-ethoxy-3-isocyanatocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 124.9
[M+Na]+ 164.068198 130.9
[M-H]- 140.071704 129.9
[M+NH4]+ 159.112803 140.5
[M+K]+ 180.042138 134.1
[M+H-H2O]+ 124.076240 114.4
[M+HCOO]- 186.077181 149.9
[M+CH3COO]- 200.092831 181.7
[M+Na-2H]- 162.053646 131.4
[M]+ 141.07843142 135.1
[M]- 141.07952858 135.1
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.