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

13
Patents

140.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 131.6
[M+Na]+ 163.12057 139.0
[M-H]- 139.12407 133.5
[M+NH4]+ 158.16517 151.6
[M+K]+ 179.09451 139.7
[M+H-H2O]+ 123.12861 119.8
[M+HCOO]- 185.12955 151.8
[M+CH3COO]- 199.14520 195.8
[M+Na-2H]- 161.10602 136.0
[M]+ 140.13080 128.4
[M]- 140.13190 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