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]+ 144.06552 125.1
[M+Na]+ 166.04746 132.6
[M-H]- 142.05096 131.2
[M+NH4]+ 161.09206 147.8
[M+K]+ 182.02140 135.2
[M+H-H2O]+ 126.05550 120.8
[M+HCOO]- 188.05644 150.1
[M+CH3COO]- 202.07209 173.8
[M+Na-2H]- 164.03291 134.8
[M]+ 143.05769 127.2
[M]- 143.05879 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.