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]+ 128.10700 125.9
[M+Na]+ 150.08894 132.8
[M-H]- 126.09244 128.8
[M+NH4]+ 145.13354 151.4
[M+K]+ 166.06288 132.5
[M+H-H2O]+ 110.09698 122.0
[M+HCOO]- 172.09792 147.5
[M+CH3COO]- 186.11357 172.7
[M+Na-2H]- 148.07439 131.1
[M]+ 127.09917 123.6
[M]- 127.10027 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.