CID 13861115

3-cyclobutyl-3-oxopropanenitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC(C1)C(=O)CC#N
InChI
InChI=1S/C7H9NO/c8-5-4-7(9)6-2-1-3-6/h6H,1-4H2
InChIKey
BAJYSJUMDLMTGH-UHFFFAOYSA-N
Compound name
3-cyclobutyl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

123.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 119.8
[M+Na]+ 146.05763 126.9
[M-H]- 122.06113 123.3
[M+NH4]+ 141.10223 134.0
[M+K]+ 162.03157 130.0
[M+H-H2O]+ 106.06567 104.2
[M+HCOO]- 168.06661 138.0
[M+CH3COO]- 182.08226 187.7
[M+Na-2H]- 144.04308 125.3
[M]+ 123.06786 121.9
[M]- 123.06896 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe