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]+ 138.091336 116.2
[M+Na]+ 160.073278 129.7
[M-H]- 136.076784 125.6
[M+NH4]+ 155.117883 128.4
[M+K]+ 176.047218 130.2
[M+H-H2O]+ 120.081320 103.8
[M+HCOO]- 182.082261 135.9
[M+CH3COO]- 196.097911 191.6
[M+Na-2H]- 158.058726 126.7
[M]+ 137.08351142 123.4
[M]- 137.08460858 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.