CID 167717344

Rac-(1r,2s,4s)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C[C@@H]2[C@](C[C@H]1O2)(CN)O
InChI
InChI=1S/C7H13NO2/c8-4-7(9)3-5-1-2-6(7)10-5/h5-6,9H,1-4,8H2/t5-,6+,7-/m0/s1
InChIKey
NNEPKSOKZQPKFP-XVMARJQXSA-N
Compound name
(1R,2S,4S)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.2
[M+Na]+ 166.08386 135.3
[M+NH4]+ 161.12846 138.4
[M+K]+ 182.05780 133.1
[M-H]- 142.08736 129.3
[M+Na-2H]- 164.06931 130.0
[M]+ 143.09409 129.2
[M]- 143.09519 129.2
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.