CID 141907

2,2-diethylbutanenitrile

Structural Information

Molecular Formula
C8H15N
SMILES
CCC(CC)(CC)C#N
InChI
InChI=1S/C8H15N/c1-4-8(5-2,6-3)7-9/h4-6H2,1-3H3
InChIKey
BNECGDCGGVACFF-UHFFFAOYSA-N
Compound name
2,2-diethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

125.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 128.5
[M+Na]+ 148.109668 137.3
[M-H]- 124.113174 129.6
[M+NH4]+ 143.154273 149.1
[M+K]+ 164.083608 136.8
[M+H-H2O]+ 108.117710 118.1
[M+HCOO]- 170.118651 147.1
[M+CH3COO]- 184.134301 187.9
[M+Na-2H]- 146.095116 135.1
[M]+ 125.11990142 125.2
[M]- 125.12099858 125.2
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