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]+ 126.091336 122.5
[M+Na]+ 148.073278 127.8
[M-H]- 124.076784 127.2
[M+NH4]+ 143.117883 138.5
[M+K]+ 164.047218 130.5
[M+H-H2O]+ 108.081320 112.0
[M+HCOO]- 170.082261 147.4
[M+CH3COO]- 184.097911 178.7
[M+Na-2H]- 146.058726 129.7
[M]+ 125.08351142 131.0
[M]- 125.08460858 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.