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 139.4
[M+Na]+ 192.09950 148.3
[M-H]- 168.10300 142.4
[M+NH4]+ 187.14410 158.2
[M+K]+ 208.07344 143.4
[M+H-H2O]+ 152.10754 133.5
[M+HCOO]- 214.10848 155.0
[M+CH3COO]- 228.12413 180.9
[M+Na-2H]- 190.08495 148.5
[M]+ 169.10973 132.6
[M]- 169.11083 132.6
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.