CID 20543580

(isocyanatomethyl)cyclobutane

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(C1)CN=C=O
InChI
InChI=1S/C6H9NO/c8-5-7-4-6-2-1-3-6/h6H,1-4H2
InChIKey
BNRZOEZQEJCZET-UHFFFAOYSA-N
Compound name
isocyanatomethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

111.06841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.5
[M+Na]+ 134.05763 128.5
[M+NH4]+ 129.10223 127.3
[M+K]+ 150.03157 124.4
[M-H]- 110.06113 121.7
[M+Na-2H]- 132.04308 125.9
[M]+ 111.06786 121.7
[M]- 111.06896 121.7
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

patents stripe