CID 130027387

2,2-dimethyl-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1(C(CC1=O)C#N)C
InChI
InChI=1S/C7H9NO/c1-7(2)5(4-8)3-6(7)9/h5H,3H2,1-2H3
InChIKey
WQAKVMGEQZTZPO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 124.0
[M+Na]+ 146.05763 131.2
[M+NH4]+ 141.10223 127.0
[M+K]+ 162.03157 123.3
[M-H]- 122.06113 116.0
[M+Na-2H]- 144.04308 126.0
[M]+ 123.06786 121.0
[M]- 123.06896 121.0
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.