CID 5109435

1-cyclopropyl-2-(piperazin-1-yl)ethan-1-ol dihydrochloride

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CC1C(CN2CCNCC2)O
InChI
InChI=1S/C9H18N2O/c12-9(8-1-2-8)7-11-5-3-10-4-6-11/h8-10,12H,1-7H2
InChIKey
BKXMLTKMQVGJFY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-piperazin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 143.8
[M+Na]+ 193.131118 149.1
[M-H]- 169.134624 144.7
[M+NH4]+ 188.175723 154.9
[M+K]+ 209.105058 145.6
[M+H-H2O]+ 153.139160 135.9
[M+HCOO]- 215.140101 158.5
[M+CH3COO]- 229.155751 177.6
[M+Na-2H]- 191.116566 147.0
[M]+ 170.14135142 138.8
[M]- 170.14244858 138.8
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.