CID 84762181

(2-isocyanatoethyl)cyclobutane

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC(C1)CCN=C=O
InChI
InChI=1S/C7H11NO/c9-6-8-5-4-7-2-1-3-7/h7H,1-5H2
InChIKey
RYPHKZOVEXVLSZ-UHFFFAOYSA-N
Compound name
2-isocyanatoethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 122.5
[M+Na]+ 148.07328 127.8
[M-H]- 124.07678 127.2
[M+NH4]+ 143.11788 138.5
[M+K]+ 164.04722 130.5
[M+H-H2O]+ 108.08132 112.0
[M+HCOO]- 170.08226 147.4
[M+CH3COO]- 184.09791 178.7
[M+Na-2H]- 146.05873 129.7
[M]+ 125.08351 131.0
[M]- 125.08461 131.0
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.