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]+ 184.14444 136.6
[M+Na]+ 206.12638 143.2
[M-H]- 182.12988 134.9
[M+NH4]+ 201.17098 151.2
[M+K]+ 222.10032 140.9
[M+H-H2O]+ 166.13442 122.7
[M+HCOO]- 228.13536 150.0
[M+CH3COO]- 242.15101 191.9
[M+Na-2H]- 204.11183 140.9
[M]+ 183.13661 128.4
[M]- 183.13771 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

No patent data available for this compound.