CID 12729374

2,2-dimethoxypropanenitrile

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(C#N)(OC)OC
InChI
InChI=1S/C5H9NO2/c1-5(4-6,7-2)8-3/h1-3H3
InChIKey
QDSMOWYMYIABBZ-UHFFFAOYSA-N
Compound name
2,2-dimethoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

115.06333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.0
[M+Na]+ 138.052548 130.8
[M-H]- 114.056054 122.4
[M+NH4]+ 133.097153 141.8
[M+K]+ 154.026488 131.9
[M+H-H2O]+ 98.060590 110.7
[M+HCOO]- 160.061531 140.9
[M+CH3COO]- 174.077181 183.2
[M+Na-2H]- 136.037996 129.1
[M]+ 115.06278142 119.2
[M]- 115.06387858 119.2
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