CID 92546466

En300-45214114

Structural Information

Molecular Formula
C8H15NO
SMILES
C1C[C@H]2[C@@H](C[C@@H]1O2)CCN
InChI
InChI=1S/C8H15NO/c9-4-3-6-5-7-1-2-8(6)10-7/h6-8H,1-5,9H2/t6-,7-,8+/m1/s1
InChIKey
NBBCARZMEFEVIR-PRJMDXOYSA-N
Compound name
2-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.6
[M+Na]+ 164.10459 137.1
[M-H]- 140.10809 133.3
[M+NH4]+ 159.14919 155.6
[M+K]+ 180.07853 136.5
[M+H-H2O]+ 124.11263 126.5
[M+HCOO]- 186.11357 151.9
[M+CH3COO]- 200.12922 175.7
[M+Na-2H]- 162.09004 135.3
[M]+ 141.11482 128.7
[M]- 141.11592 128.7
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.