CID 126981547

2-isocyanato-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1(CCC1N=C=O)C
InChI
InChI=1S/C7H11NO/c1-7(2)4-3-6(7)8-5-9/h6H,3-4H2,1-2H3
InChIKey
PHLVNABTABMIGU-UHFFFAOYSA-N
Compound name
2-isocyanato-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 123.1
[M+Na]+ 148.07328 130.2
[M-H]- 124.07678 128.6
[M+NH4]+ 143.11788 141.5
[M+K]+ 164.04722 132.9
[M+H-H2O]+ 108.08132 114.3
[M+HCOO]- 170.08226 147.9
[M+CH3COO]- 184.09791 179.3
[M+Na-2H]- 146.05873 130.7
[M]+ 125.08351 132.2
[M]- 125.08461 132.2
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

No patent data available for this compound.