CID 70629

2-(piperazin-1-yl)propan-1-ol dihydrochloride

Structural Information

Molecular Formula
C7H16N2O
SMILES
CC(CO)N1CCNCC1
InChI
InChI=1S/C7H16N2O/c1-7(6-10)9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3
InChIKey
STSAIUCZKQGPNG-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

144.12627 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 134.9
[M+Na]+ 167.115488 138.9
[M-H]- 143.118994 131.9
[M+NH4]+ 162.160093 151.9
[M+K]+ 183.089428 137.2
[M+H-H2O]+ 127.123530 128.1
[M+HCOO]- 189.124471 149.3
[M+CH3COO]- 203.140121 169.4
[M+Na-2H]- 165.100936 138.8
[M]+ 144.12572142 127.8
[M]- 144.12681858 127.8
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