CID 4777782

4-(piperazin-1-yl)butan-1-ol dihydrochloride

Structural Information

Molecular Formula
C8H18N2O
SMILES
C1CN(CCN1)CCCCO
InChI
InChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2
InChIKey
RTZVLCNTVAXFMJ-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

158.1419 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 138.9
[M+Na]+ 181.131118 142.7
[M-H]- 157.134624 135.5
[M+NH4]+ 176.175723 155.3
[M+K]+ 197.105058 140.2
[M+H-H2O]+ 141.139160 131.7
[M+HCOO]- 203.140101 153.9
[M+CH3COO]- 217.155751 171.5
[M+Na-2H]- 179.116566 143.5
[M]+ 158.14135142 132.8
[M]- 158.14244858 132.8
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