CID 59144400

{octahydropyrrolo[1,2-a]piperazin-6-yl}methanol dihydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CC(N2C1CNCC2)CO
InChI
InChI=1S/C8H16N2O/c11-6-8-2-1-7-5-9-3-4-10(7)8/h7-9,11H,1-6H2
InChIKey
QAEMRKUNKVIXRR-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.12627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.3
[M+Na]+ 179.11549 141.4
[M-H]- 155.11899 134.2
[M+NH4]+ 174.16009 155.8
[M+K]+ 195.08943 138.6
[M+H-H2O]+ 139.12353 129.7
[M+HCOO]- 201.12447 150.5
[M+CH3COO]- 215.14012 170.5
[M+Na-2H]- 177.10094 139.7
[M]+ 156.12572 128.7
[M]- 156.12682 128.7
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

patents stripe