CID 101020

4-pentenenitrile, 2,2-diethyl-

Structural Information

Molecular Formula
C9H15N
SMILES
CCC(CC)(CC=C)C#N
InChI
InChI=1S/C9H15N/c1-4-7-9(5-2,6-3)8-10/h4H,1,5-7H2,2-3H3
InChIKey
GBWKBEIKORAGLS-UHFFFAOYSA-N
Compound name
2,2-diethylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

137.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 132.3
[M+Na]+ 160.109668 141.0
[M-H]- 136.113174 133.2
[M+NH4]+ 155.154273 152.3
[M+K]+ 176.083608 139.6
[M+H-H2O]+ 120.117710 121.7
[M+HCOO]- 182.118651 150.7
[M+CH3COO]- 196.134301 189.7
[M+Na-2H]- 158.095116 138.3
[M]+ 137.11990142 128.6
[M]- 137.12099858 128.6
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