CID 15455641

2-isocyanato-1,1-dimethoxyethane

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(CN=C=O)OC
InChI
InChI=1S/C5H9NO3/c1-8-5(9-2)3-6-4-7/h5H,3H2,1-2H3
InChIKey
FCLRDVPREJSWBM-UHFFFAOYSA-N
Compound name
2-isocyanato-1,1-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

131.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.4
[M+Na]+ 154.04746 134.7
[M+NH4]+ 149.09206 132.4
[M+K]+ 170.02140 130.3
[M-H]- 130.05096 124.5
[M+Na-2H]- 152.03291 129.0
[M]+ 131.05769 126.0
[M]- 131.05879 126.0
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