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]+ 126.09134 115.9
[M+Na]+ 148.07328 124.1
[M-H]- 124.07678 120.3
[M+NH4]+ 143.11788 131.0
[M+K]+ 164.04722 127.8
[M+H-H2O]+ 108.08132 101.5
[M+HCOO]- 170.08226 134.3
[M+CH3COO]- 184.09791 187.3
[M+Na-2H]- 146.05873 124.9
[M]+ 125.08351 120.1
[M]- 125.08461 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