CID 155821827

Rac-(1r,4r,6s)-2-oxabicyclo[2.2.1]heptan-6-amine hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@H]2C[C@@H]([C@@H]1N)OC2
InChI
InChI=1S/C6H11NO/c7-5-1-4-2-6(5)8-3-4/h4-6H,1-3,7H2/t4-,5+,6-/m0/s1
InChIKey
WHCQIGAGLHHFPZ-JKUQZMGJSA-N
Compound name
(1S,4S,6R)-2-oxabicyclo[2.2.1]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.2
[M+Na]+ 136.073278 128.4
[M-H]- 112.076784 124.2
[M+NH4]+ 131.117883 147.2
[M+K]+ 152.047218 128.4
[M+H-H2O]+ 96.081320 117.4
[M+HCOO]- 158.082261 143.1
[M+CH3COO]- 172.097911 169.7
[M+Na-2H]- 134.058726 126.9
[M]+ 113.08351142 118.5
[M]- 113.08460858 118.5
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.