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

22
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 122.4
[M+Na]+ 148.07328 137.4
[M-H]- 124.07678 129.5
[M+NH4]+ 143.11788 139.0
[M+K]+ 164.04722 134.6
[M+H-H2O]+ 108.08132 113.3
[M+HCOO]- 170.08226 142.6
[M+CH3COO]- 184.09791 188.4
[M+Na-2H]- 146.05873 132.6
[M]+ 125.08351 123.4
[M]- 125.08461 123.4
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