CID 116944266

{1-[amino(oxan-4-yl)methyl]cyclobutyl}methanol hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
C1CC(C1)(CO)C(C2CCOCC2)N
InChI
InChI=1S/C11H21NO2/c12-10(9-2-6-14-7-3-9)11(8-13)4-1-5-11/h9-10,13H,1-8,12H2
InChIKey
VHDSGWBCAVRIRN-UHFFFAOYSA-N
Compound name
[1-[amino(oxan-4-yl)methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 146.7
[M+Na]+ 222.146448 147.6
[M-H]- 198.149954 150.6
[M+NH4]+ 217.191053 158.1
[M+K]+ 238.120388 150.4
[M+H-H2O]+ 182.154490 135.7
[M+HCOO]- 244.155431 161.8
[M+CH3COO]- 258.171081 186.1
[M+Na-2H]- 220.131896 149.9
[M]+ 199.15668142 148.4
[M]- 199.15777858 148.4
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.