CID 177801782

5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C2(CC1(CNC2)O)CO
InChI
InChI=1S/C7H13NO2/c9-5-6-1-7(10,2-6)4-8-3-6/h8-10H,1-5H2
InChIKey
OJMBKTLCNWTJJP-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 144.1
[M+Na]+ 166.08386 149.3
[M-H]- 142.08736 138.4
[M+NH4]+ 161.12846 163.7
[M+K]+ 182.05780 149.3
[M+H-H2O]+ 126.09190 136.4
[M+HCOO]- 188.09284 153.0
[M+CH3COO]- 202.10849 153.7
[M+Na-2H]- 164.06931 155.6
[M]+ 143.09409 151.7
[M]- 143.09519 151.7
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.