CID 131100604

2307711-24-4

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1C[C@H]([C@H](C1)N2CCC(C2)O)N
InChI
InChI=1S/C9H18N2O/c10-8-2-1-3-9(8)11-5-4-7(12)6-11/h7-9,12H,1-6,10H2/t7?,8-,9+/m1/s1
InChIKey
RZBGJUJJPGPALM-ASODMVGOSA-N
Compound name
1-[(1S,2R)-2-aminocyclopentyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 139.7
[M+Na]+ 193.131118 144.5
[M-H]- 169.134624 142.8
[M+NH4]+ 188.175723 160.9
[M+K]+ 209.105058 142.5
[M+H-H2O]+ 153.139160 133.2
[M+HCOO]- 215.140101 159.2
[M+CH3COO]- 229.155751 177.3
[M+Na-2H]- 191.116566 139.1
[M]+ 170.14135142 131.9
[M]- 170.14244858 131.9
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.