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]+ 126.091336 123.1
[M+Na]+ 148.073278 130.2
[M-H]- 124.076784 128.6
[M+NH4]+ 143.117883 141.5
[M+K]+ 164.047218 132.9
[M+H-H2O]+ 108.081320 114.3
[M+HCOO]- 170.082261 147.9
[M+CH3COO]- 184.097911 179.3
[M+Na-2H]- 146.058726 130.7
[M]+ 125.08351142 132.2
[M]- 125.08460858 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.