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
trans-(1R,2R)-2-piperazin-1-ylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.1419 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 141.2
[M+Na]+ 193.131118 144.7
[M-H]- 169.134624 141.1
[M+NH4]+ 188.175723 158.7
[M+K]+ 209.105058 141.9
[M+H-H2O]+ 153.139160 133.6
[M+HCOO]- 215.140101 155.3
[M+CH3COO]- 229.155751 172.1
[M+Na-2H]- 191.116566 142.4
[M]+ 170.14135142 131.2
[M]- 170.14244858 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