CID 137935879

2253639-35-7

Structural Information

Molecular Formula
C8H13NO
SMILES
C1[C@H]([C@@H]2[C@H]3C[C@H]3[C@H]1O2)CN
InChI
InChI=1S/C8H13NO/c9-3-4-1-7-5-2-6(5)8(4)10-7/h4-8H,1-3,9H2/t4-,5+,6-,7-,8+/m0/s1
InChIKey
JYPJEVIDHJADCO-GWVFRZDISA-N
Compound name
[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 126.1
[M+Na]+ 162.08894 136.6
[M-H]- 138.09244 131.1
[M+NH4]+ 157.13354 147.4
[M+K]+ 178.06288 133.7
[M+H-H2O]+ 122.09698 122.3
[M+HCOO]- 184.09792 146.3
[M+CH3COO]- 198.11357 140.3
[M+Na-2H]- 160.07439 132.1
[M]+ 139.09917 128.5
[M]- 139.10027 128.5
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.