CID 155821114

Rac-[(1r,4s,5s)-1-(aminomethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1[C@@H]2CO[C@@]1(C[C@@H]2CO)CN
InChI
InChI=1S/C8H15NO2/c9-5-8-1-6(3-10)7(2-8)4-11-8/h6-7,10H,1-5,9H2/t6-,7-,8-/m1/s1
InChIKey
KUWKCDIDAWVDHI-BWZBUEFSSA-N
Compound name
[(1R,4S,5S)-1-(aminomethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.1
[M+Na]+ 180.09950 140.0
[M-H]- 156.10300 134.7
[M+NH4]+ 175.14410 158.6
[M+K]+ 196.07344 138.9
[M+H-H2O]+ 140.10754 129.8
[M+HCOO]- 202.10848 153.0
[M+CH3COO]- 216.12413 174.8
[M+Na-2H]- 178.08495 138.7
[M]+ 157.10973 131.1
[M]- 157.11083 131.1
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.