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

19
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 128.7
[M+Na]+ 148.10967 139.0
[M+NH4]+ 143.15427 133.8
[M+K]+ 164.08361 130.3
[M-H]- 124.11317 121.6
[M+Na-2H]- 146.09512 131.0
[M]+ 125.11990 127.3
[M]- 125.12100 127.3
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