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]+ 214.18016 151.3
[M+Na]+ 236.16210 154.6
[M-H]- 212.16560 154.3
[M+NH4]+ 231.20670 174.9
[M+K]+ 252.13604 151.7
[M+H-H2O]+ 196.17014 146.6
[M+HCOO]- 258.17108 170.4
[M+CH3COO]- 272.18673 181.0
[M+Na-2H]- 234.14755 153.8
[M]+ 213.17233 144.6
[M]- 213.17343 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.