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 127.7
[M+Na]+ 146.05763 145.8
[M-H]- 122.06113 138.8
[M+NH4]+ 141.10223 141.3
[M+K]+ 162.03157 141.6
[M+H-H2O]+ 106.06567 122.3
[M+HCOO]- 168.06661 147.6
[M+CH3COO]- 182.08226 196.4
[M+Na-2H]- 144.04308 137.2
[M]+ 123.06786 131.8
[M]- 123.06896 131.8
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.