CID 573911

2-(diethylamino)butanenitrile

Structural Information

Molecular Formula
C8H16N2
SMILES
CCC(C#N)N(CC)CC
InChI
InChI=1S/C8H16N2/c1-4-8(7-9)10(5-2)6-3/h8H,4-6H2,1-3H3
InChIKey
TZEWMPTWEWTXOY-UHFFFAOYSA-N
Compound name
2-(diethylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

140.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 131.6
[M+Na]+ 163.120568 139.0
[M-H]- 139.124074 133.5
[M+NH4]+ 158.165173 151.6
[M+K]+ 179.094508 139.7
[M+H-H2O]+ 123.128610 119.8
[M+HCOO]- 185.129551 151.8
[M+CH3COO]- 199.145201 195.8
[M+Na-2H]- 161.106016 136.0
[M]+ 140.13080142 128.4
[M]- 140.13189858 128.4
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