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]+ 124.075686 127.7
[M+Na]+ 146.057628 145.8
[M-H]- 122.061134 138.8
[M+NH4]+ 141.102233 141.3
[M+K]+ 162.031568 141.6
[M+H-H2O]+ 106.065670 122.3
[M+HCOO]- 168.066611 147.6
[M+CH3COO]- 182.082261 196.4
[M+Na-2H]- 144.043076 137.2
[M]+ 123.06786142 131.8
[M]- 123.06895858 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.