CID 131631955

1-[(oxiran-2-yl)methyl]cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC(C1)(CC2CO2)C#N
InChI
InChI=1S/C8H11NO/c9-6-8(2-1-3-8)4-7-5-10-7/h7H,1-5H2
InChIKey
ZOBDJCKGSLRISN-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 116.2
[M+Na]+ 160.07328 129.7
[M-H]- 136.07678 125.6
[M+NH4]+ 155.11788 128.4
[M+K]+ 176.04722 130.2
[M+H-H2O]+ 120.08132 103.8
[M+HCOO]- 182.08226 135.9
[M+CH3COO]- 196.09791 191.6
[M+Na-2H]- 158.05873 126.7
[M]+ 137.08351 123.4
[M]- 137.08461 123.4
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

No patent data available for this compound.