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

29
Patents

167.14224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 132.9
[M+Na]+ 190.131458 140.0
[M-H]- 166.134964 132.4
[M+NH4]+ 185.176063 148.8
[M+K]+ 206.105398 138.0
[M+H-H2O]+ 150.139500 118.9
[M+HCOO]- 212.140441 147.4
[M+CH3COO]- 226.156091 192.5
[M+Na-2H]- 188.116906 137.7
[M]+ 167.14169142 125.2
[M]- 167.14278858 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