CID 3015914

2,3-epoxy-2-methylpropiononitrile

Structural Information

Molecular Formula
C4H5NO
SMILES
CC1(CO1)C#N
InChI
InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3
InChIKey
LVEMNYRWPAJPPV-UHFFFAOYSA-N
Compound name
2-methyloxirane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

83.03712 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 109.0
[M+Na]+ 106.026338 125.7
[M-H]- 82.029844 116.8
[M+NH4]+ 101.070943 128.8
[M+K]+ 122.000278 123.5
[M+H-H2O]+ 66.034380 101.1
[M+HCOO]- 128.035321 131.2
[M+CH3COO]- 142.050971 179.9
[M+Na-2H]- 104.011786 121.3
[M]+ 83.03657142 110.0
[M]- 83.03766858 110.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe