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]+ 158.081176 129.8
[M+Na]+ 180.063118 136.9
[M-H]- 156.066624 135.7
[M+NH4]+ 175.107723 152.0
[M+K]+ 196.037058 139.2
[M+H-H2O]+ 140.071160 125.3
[M+HCOO]- 202.072101 154.5
[M+CH3COO]- 216.087751 176.9
[M+Na-2H]- 178.048566 138.9
[M]+ 157.07335142 132.3
[M]- 157.07444858 132.3
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.