CID 139022808

2-ethyl-2-formylbutanenitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC(CC)(C=O)C#N
InChI
InChI=1S/C7H11NO/c1-3-7(4-2,5-8)6-9/h6H,3-4H2,1-2H3
InChIKey
YSAHWQPMOLYSOC-UHFFFAOYSA-N
Compound name
2-ethyl-2-formylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

125.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.7
[M+Na]+ 148.07328 136.0
[M-H]- 124.07678 127.9
[M+NH4]+ 143.11788 147.1
[M+K]+ 164.04722 135.6
[M+H-H2O]+ 108.08132 116.3
[M+HCOO]- 170.08226 145.9
[M+CH3COO]- 184.09791 186.0
[M+Na-2H]- 146.05873 133.7
[M]+ 125.08351 123.6
[M]- 125.08461 123.6
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