CID 155822694

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

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(OCCO1)CCN=C=O
InChI
InChI=1S/C7H11NO3/c1-7(2-3-8-6-9)10-4-5-11-7/h2-5H2,1H3
InChIKey
ORQZJANKFKDAHL-UHFFFAOYSA-N
Compound name
2-(2-isocyanatoethyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.6
[M+Na]+ 180.06312 141.9
[M+NH4]+ 175.10772 141.4
[M+K]+ 196.03706 137.3
[M-H]- 156.06662 136.0
[M+Na-2H]- 178.04857 137.4
[M]+ 157.07335 134.7
[M]- 157.07445 134.7
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.