CID 45098504

1404531-32-3

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1C[C@H]([C@@H](C1)O)N2CCNCC2
InChI
InChI=1S/C9H18N2O/c12-9-3-1-2-8(9)11-6-4-10-5-7-11/h8-10,12H,1-7H2/t8-,9-/m1/s1
InChIKey
YFZKFNUJXUUPNL-RKDXNWHRSA-N
Compound name
(1R,2R)-2-piperazin-1-ylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

170.1419 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 141.2
[M+Na]+ 193.13112 144.7
[M-H]- 169.13462 141.1
[M+NH4]+ 188.17572 158.7
[M+K]+ 209.10506 141.9
[M+H-H2O]+ 153.13916 133.6
[M+HCOO]- 215.14010 155.3
[M+CH3COO]- 229.15575 172.1
[M+Na-2H]- 191.11657 142.4
[M]+ 170.14135 131.2
[M]- 170.14245 131.2
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