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]+ 132.065516 123.0
[M+Na]+ 154.047458 130.8
[M-H]- 130.050964 124.9
[M+NH4]+ 149.092063 145.5
[M+K]+ 170.021398 132.0
[M+H-H2O]+ 114.055500 117.9
[M+HCOO]- 176.056441 150.9
[M+CH3COO]- 190.072091 175.1
[M+Na-2H]- 152.032906 131.6
[M]+ 131.05769142 128.0
[M]- 131.05878858 128.0
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