CID 24689898

3-(4-ethylpiperazin-1-yl)propanenitrile

Structural Information

Molecular Formula
C9H17N3
SMILES
CCN1CCN(CC1)CCC#N
InChI
InChI=1S/C9H17N3/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-3,5-9H2,1H3
InChIKey
XBRHNEAYPCDRAS-UHFFFAOYSA-N
Compound name
3-(4-ethylpiperazin-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

167.14224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.14952 141.4
[M+Na]+ 190.13146 151.8
[M+NH4]+ 185.17606 145.8
[M+K]+ 206.10540 142.2
[M-H]- 166.13496 135.1
[M+Na-2H]- 188.11691 143.5
[M]+ 167.14169 140.1
[M]- 167.14279 140.1
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