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]+ 126.091336 122.4
[M+Na]+ 148.073278 137.4
[M-H]- 124.076784 129.5
[M+NH4]+ 143.117883 139.0
[M+K]+ 164.047218 134.6
[M+H-H2O]+ 108.081320 113.3
[M+HCOO]- 170.082261 142.6
[M+CH3COO]- 184.097911 188.4
[M+Na-2H]- 146.058726 132.6
[M]+ 125.08351142 123.4
[M]- 125.08460858 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