CID 105428199

2649085-51-6

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]+ 142.08626 124.9
[M+Na]+ 164.06820 130.9
[M-H]- 140.07170 129.9
[M+NH4]+ 159.11280 140.5
[M+K]+ 180.04214 134.1
[M+H-H2O]+ 124.07624 114.4
[M+HCOO]- 186.07718 149.9
[M+CH3COO]- 200.09283 181.7
[M+Na-2H]- 162.05365 131.4
[M]+ 141.07843 135.1
[M]- 141.07953 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.