CID 14405007

1-isocyanato-2-methoxyethane

Structural Information

Molecular Formula
C4H7NO2
SMILES
COCCN=C=O
InChI
InChI=1S/C4H7NO2/c1-7-3-2-5-4-6/h2-3H2,1H3
InChIKey
IVMHNKJWTRJTRU-UHFFFAOYSA-N
Compound name
1-isocyanato-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

101.047676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 115.7
[M+Na]+ 124.03689 124.0
[M-H]- 100.04040 117.8
[M+NH4]+ 119.08150 139.4
[M+K]+ 140.01083 125.0
[M+H-H2O]+ 84.044936 111.0
[M+HCOO]- 146.04588 143.6
[M+CH3COO]- 160.06153 170.0
[M+Na-2H]- 122.02234 124.8
[M]+ 101.04713 118.8
[M]- 101.04822 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe