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]+ 171.14918 143.8
[M+Na]+ 193.13112 149.1
[M-H]- 169.13462 144.7
[M+NH4]+ 188.17572 154.9
[M+K]+ 209.10506 145.6
[M+H-H2O]+ 153.13916 135.9
[M+HCOO]- 215.14010 158.5
[M+CH3COO]- 229.15575 177.6
[M+Na-2H]- 191.11657 147.0
[M]+ 170.14135 138.8
[M]- 170.14245 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.