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

24
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 132.9
[M+Na]+ 190.13146 140.0
[M-H]- 166.13496 132.4
[M+NH4]+ 185.17606 148.8
[M+K]+ 206.10540 138.0
[M+H-H2O]+ 150.13950 118.9
[M+HCOO]- 212.14044 147.4
[M+CH3COO]- 226.15609 192.5
[M+Na-2H]- 188.11691 137.7
[M]+ 167.14169 125.2
[M]- 167.14279 125.2
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