CID 63109870

2-(1-isocyanatoethyl)oxolane

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC(C1CCCO1)N=C=O
InChI
InChI=1S/C7H11NO2/c1-6(8-5-9)7-3-2-4-10-7/h6-7H,2-4H2,1H3
InChIKey
RLLNYNXMMOYCHV-UHFFFAOYSA-N
Compound name
2-(1-isocyanatoethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 129.3
[M+Na]+ 164.068198 135.2
[M-H]- 140.071704 134.4
[M+NH4]+ 159.112803 151.3
[M+K]+ 180.042138 136.5
[M+H-H2O]+ 124.076240 123.7
[M+HCOO]- 186.077181 153.7
[M+CH3COO]- 200.092831 175.9
[M+Na-2H]- 162.053646 134.8
[M]+ 141.07843142 128.7
[M]- 141.07952858 128.7
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.