CID 116194842

1-isocyanato-1-methylcyclobutane

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1(CCC1)N=C=O
InChI
InChI=1S/C6H9NO/c1-6(7-5-8)3-2-4-6/h2-4H2,1H3
InChIKey
CNPMRIKXOJEXMD-UHFFFAOYSA-N
Compound name
1-isocyanato-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.2
[M+Na]+ 134.05763 129.4
[M+NH4]+ 129.10223 129.3
[M+K]+ 150.03157 123.6
[M-H]- 110.06113 122.4
[M+Na-2H]- 132.04308 128.0
[M]+ 111.06786 122.6
[M]- 111.06896 122.6
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