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 123.0
[M+Na]+ 154.04746 130.8
[M-H]- 130.05096 124.9
[M+NH4]+ 149.09206 145.5
[M+K]+ 170.02140 132.0
[M+H-H2O]+ 114.05550 117.9
[M+HCOO]- 176.05644 150.9
[M+CH3COO]- 190.07209 175.1
[M+Na-2H]- 152.03291 131.6
[M]+ 131.05769 128.0
[M]- 131.05879 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