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]+ 144.101916 128.5
[M+Na]+ 166.083858 135.8
[M-H]- 142.087364 130.3
[M+NH4]+ 161.128463 154.6
[M+K]+ 182.057798 135.0
[M+H-H2O]+ 126.091900 125.4
[M+HCOO]- 188.092841 148.7
[M+CH3COO]- 202.108491 171.8
[M+Na-2H]- 164.069306 134.6
[M]+ 143.09409142 126.1
[M]- 143.09518858 126.1
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.