CID 4739635

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanenitrile

Structural Information

Molecular Formula
C9H17N3O
SMILES
C1CN(CCN1CCC#N)CCO
InChI
InChI=1S/C9H17N3O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1,3-9H2
InChIKey
ZAZQLPKNEYEAIO-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

183.13716 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 136.6
[M+Na]+ 206.126378 143.2
[M-H]- 182.129884 134.9
[M+NH4]+ 201.170983 151.2
[M+K]+ 222.100318 140.9
[M+H-H2O]+ 166.134420 122.7
[M+HCOO]- 228.135361 150.0
[M+CH3COO]- 242.151011 191.9
[M+Na-2H]- 204.111826 140.9
[M]+ 183.13661142 128.4
[M]- 183.13770858 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

literature stripe

Patent stripe

patents stripe