CID 165762735

2-tert-butyl-2-(isocyanomethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C)(C)C1(OCCO1)C[N+]#[C-]
InChI
InChI=1S/C9H15NO2/c1-8(2,3)9(7-10-4)11-5-6-12-9/h5-7H2,1-3H3
InChIKey
ZKLAYUBYHARKEF-UHFFFAOYSA-N
Compound name
2-tert-butyl-2-(isocyanomethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 135.0
[M+Na]+ 192.09950 145.7
[M+NH4]+ 187.14410 141.2
[M+K]+ 208.07344 140.0
[M-H]- 168.10300 131.4
[M+Na-2H]- 190.08495 137.4
[M]+ 169.10973 134.8
[M]- 169.11083 134.8
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.