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]+ 112.075686 119.0
[M+Na]+ 134.057628 125.5
[M-H]- 110.061134 124.3
[M+NH4]+ 129.102233 137.6
[M+K]+ 150.031568 128.5
[M+H-H2O]+ 94.065670 110.0
[M+HCOO]- 156.066611 144.2
[M+CH3COO]- 170.082261 175.3
[M+Na-2H]- 132.043076 127.7
[M]+ 111.06786142 127.4
[M]- 111.06895858 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