CID 121207908

2-(3-oxocyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1C(CC1=O)CC#N
InChI
InChI=1S/C6H7NO/c7-2-1-5-3-6(8)4-5/h5H,1,3-4H2
InChIKey
PZUCMMIBKLVHSP-UHFFFAOYSA-N
Compound name
2-(3-oxocyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

109.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 112.8
[M+Na]+ 132.041983 121.3
[M-H]- 108.045489 116.9
[M+NH4]+ 127.086588 128.0
[M+K]+ 148.015923 124.4
[M+H-H2O]+ 92.050025 97.8
[M+HCOO]- 154.050966 132.3
[M+CH3COO]- 168.066616 185.3
[M+Na-2H]- 130.027431 119.6
[M]+ 109.05221642 115.6
[M]- 109.05331358 115.6
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