CID 118163417

2,2-dimethyl-3-(oxiran-2-yl)propanenitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C)(CC1CO1)C#N
InChI
InChI=1S/C7H11NO/c1-7(2,5-8)3-6-4-9-6/h6H,3-4H2,1-2H3
InChIKey
OJIIVCJYDVIJJI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(oxiran-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 129.0
[M+Na]+ 148.07328 140.5
[M+NH4]+ 143.11788 134.5
[M+K]+ 164.04722 134.4
[M-H]- 124.07678 130.1
[M+Na-2H]- 146.05873 133.9
[M]+ 125.08351 131.2
[M]- 125.08461 131.2
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