CID 12282094

Exo-7-oxabicyclo[2.2.1]heptane-2-methanamine

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@H]2[C@H](C[C@H]1O2)CN
InChI
InChI=1S/C7H13NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4,8H2/t5-,6+,7-/m1/s1
InChIKey
HOGOLKHCHFSFKN-DSYKOEDSSA-N
Compound name
[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.9
[M+Na]+ 150.088938 132.8
[M-H]- 126.092444 128.8
[M+NH4]+ 145.133543 151.4
[M+K]+ 166.062878 132.5
[M+H-H2O]+ 110.096980 122.0
[M+HCOO]- 172.097921 147.5
[M+CH3COO]- 186.113571 172.7
[M+Na-2H]- 148.074386 131.1
[M]+ 127.09917142 123.6
[M]- 127.10026858 123.6
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.