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]+ 144.10192 129.8
[M+Na]+ 166.08386 137.3
[M-H]- 142.08736 131.7
[M+NH4]+ 161.12846 152.0
[M+K]+ 182.05780 137.8
[M+H-H2O]+ 126.09190 125.2
[M+HCOO]- 188.09284 155.2
[M+CH3COO]- 202.10849 179.4
[M+Na-2H]- 164.06931 137.9
[M]+ 143.09409 133.6
[M]- 143.09519 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.