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 119.0
[M+Na]+ 134.05763 125.5
[M-H]- 110.06113 124.3
[M+NH4]+ 129.10223 137.6
[M+K]+ 150.03157 128.5
[M+H-H2O]+ 94.065670 110.0
[M+HCOO]- 156.06661 144.2
[M+CH3COO]- 170.08226 175.3
[M+Na-2H]- 132.04308 127.7
[M]+ 111.06786 127.4
[M]- 111.06896 127.4
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