CID 18467517

2-(isocyanatomethyl)tetrahydrofuran

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC(OC1)CN=C=O
InChI
InChI=1S/C6H9NO2/c8-5-7-4-6-2-1-3-9-6/h6H,1-4H2
InChIKey
PCPJIDFJVZWDOX-UHFFFAOYSA-N
Compound name
2-(isocyanatomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

127.06333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.8
[M+Na]+ 150.05255 135.2
[M+NH4]+ 145.09715 134.1
[M+K]+ 166.02649 131.7
[M-H]- 126.05605 128.5
[M+Na-2H]- 148.03800 130.1
[M]+ 127.06278 127.5
[M]- 127.06388 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe