CID 52908329

1-({[(1-hydroxycyclopentyl)methyl]amino}methyl)cyclopentan-1-ol hydrochloride

Structural Information

Molecular Formula
C12H23NO2
SMILES
C1CCC(C1)(CNCC2(CCCC2)O)O
InChI
InChI=1S/C12H23NO2/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12/h13-15H,1-10H2
InChIKey
XVYCDWUHEKHUMY-UHFFFAOYSA-N
Compound name
1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 151.3
[M+Na]+ 236.162098 154.6
[M-H]- 212.165604 154.3
[M+NH4]+ 231.206703 174.9
[M+K]+ 252.136038 151.7
[M+H-H2O]+ 196.170140 146.6
[M+HCOO]- 258.171081 170.4
[M+CH3COO]- 272.186731 181.0
[M+Na-2H]- 234.147546 153.8
[M]+ 213.17233142 144.6
[M]- 213.17342858 144.6
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.