CID 150858149

2-(isocyanatomethyl)-2-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1(OCCO1)CN=C=O
InChI
InChI=1S/C6H9NO3/c1-6(4-7-5-8)9-2-3-10-6/h2-4H2,1H3
InChIKey
KRKYSJHVSWGPHL-UHFFFAOYSA-N
Compound name
2-(isocyanatomethyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 125.1
[M+Na]+ 166.047458 132.6
[M-H]- 142.050964 131.2
[M+NH4]+ 161.092063 147.8
[M+K]+ 182.021398 135.2
[M+H-H2O]+ 126.055500 120.8
[M+HCOO]- 188.056441 150.1
[M+CH3COO]- 202.072091 173.8
[M+Na-2H]- 164.032906 134.8
[M]+ 143.05769142 127.2
[M]- 143.05878858 127.2
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.