CID 115011526

1-ethoxy-2-isocyanato-2-methylpropane

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCOCC(C)(C)N=C=O
InChI
InChI=1S/C7H13NO2/c1-4-10-5-7(2,3)8-6-9/h4-5H2,1-3H3
InChIKey
SMCVXFDAIHEVSG-UHFFFAOYSA-N
Compound name
1-ethoxy-2-isocyanato-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.8
[M+Na]+ 166.083858 137.3
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 152.0
[M+K]+ 182.057798 137.8
[M+H-H2O]+ 126.091900 125.2
[M+HCOO]- 188.092841 155.2
[M+CH3COO]- 202.108491 179.4
[M+Na-2H]- 164.069306 137.9
[M]+ 143.09409142 133.6
[M]- 143.09518858 133.6
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

No patent data available for this compound.