CID 167735231

3-cyclopropyl-3-methyloxirane-2-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1(C(O1)C#N)C2CC2
InChI
InChI=1S/C7H9NO/c1-7(5-2-3-5)6(4-8)9-7/h5-6H,2-3H2,1H3
InChIKey
FHINPHAQISDLSJ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-methyloxirane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 114.4
[M+Na]+ 146.05763 126.5
[M+NH4]+ 141.10223 121.6
[M+K]+ 162.03157 122.0
[M-H]- 122.06113 122.9
[M+Na-2H]- 144.04308 124.2
[M]+ 123.06786 119.8
[M]- 123.06896 119.8
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.