CID 82650930

4-isocyanooxane

Structural Information

Molecular Formula
C6H9NO
SMILES
[C-]#[N+]C1CCOCC1
InChI
InChI=1S/C6H9NO/c1-7-6-2-4-8-5-3-6/h6H,2-5H2
InChIKey
NEOIPTGICFBMEE-UHFFFAOYSA-N
Compound name
4-isocyanooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 124.4
[M+Na]+ 134.05763 136.8
[M+NH4]+ 129.10223 130.8
[M+K]+ 150.03157 129.4
[M-H]- 110.06113 121.6
[M+Na-2H]- 132.04308 127.6
[M]+ 111.06786 124.5
[M]- 111.06896 124.5
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

patents stripe