CID 21361853

1-(isocyanatomethoxy)-2-methoxyethane

Structural Information

Molecular Formula
C5H9NO3
SMILES
COCCOCN=C=O
InChI
InChI=1S/C5H9NO3/c1-8-2-3-9-5-6-4-7/h2-3,5H2,1H3
InChIKey
DFXGAUXNNKGYAQ-UHFFFAOYSA-N
Compound name
1-(isocyanatomethoxy)-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.0
[M+Na]+ 154.04746 134.7
[M+NH4]+ 149.09206 132.2
[M+K]+ 170.02140 129.5
[M-H]- 130.05096 124.4
[M+Na-2H]- 152.03291 129.1
[M]+ 131.05769 125.8
[M]- 131.05879 125.8
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

patents stripe