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]+ 142.08626 129.3
[M+Na]+ 164.06820 135.2
[M-H]- 140.07170 134.4
[M+NH4]+ 159.11280 151.3
[M+K]+ 180.04214 136.5
[M+H-H2O]+ 124.07624 123.7
[M+HCOO]- 186.07718 153.7
[M+CH3COO]- 200.09283 175.9
[M+Na-2H]- 162.05365 134.8
[M]+ 141.07843 128.7
[M]- 141.07953 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.