CID 84647855

2-(3-ethyloxetan-3-yl)acetonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC1(COC1)CC#N
InChI
InChI=1S/C7H11NO/c1-2-7(3-4-8)5-9-6-7/h2-3,5-6H2,1H3
InChIKey
NZYPKGQJEQXRAO-UHFFFAOYSA-N
Compound name
2-(3-ethyloxetan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

125.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 115.9
[M+Na]+ 148.073278 124.1
[M-H]- 124.076784 120.3
[M+NH4]+ 143.117883 131.0
[M+K]+ 164.047218 127.8
[M+H-H2O]+ 108.081320 101.5
[M+HCOO]- 170.082261 134.3
[M+CH3COO]- 184.097911 187.3
[M+Na-2H]- 146.058726 124.9
[M]+ 125.08351142 120.1
[M]- 125.08460858 120.1
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

patents stripe