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

123
Patents

125.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 128.5
[M+Na]+ 148.10967 137.3
[M-H]- 124.11317 129.6
[M+NH4]+ 143.15427 149.1
[M+K]+ 164.08361 136.8
[M+H-H2O]+ 108.11771 118.1
[M+HCOO]- 170.11865 147.1
[M+CH3COO]- 184.13430 187.9
[M+Na-2H]- 146.09512 135.1
[M]+ 125.11990 125.2
[M]- 125.12100 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