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]+ 200.16451 146.7
[M+Na]+ 222.14645 147.6
[M-H]- 198.14995 150.6
[M+NH4]+ 217.19105 158.1
[M+K]+ 238.12039 150.4
[M+H-H2O]+ 182.15449 135.7
[M+HCOO]- 244.15543 161.8
[M+CH3COO]- 258.17108 186.1
[M+Na-2H]- 220.13190 149.9
[M]+ 199.15668 148.4
[M]- 199.15778 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.