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]+ 140.106996 126.1
[M+Na]+ 162.088938 136.6
[M-H]- 138.092444 131.1
[M+NH4]+ 157.133543 147.4
[M+K]+ 178.062878 133.7
[M+H-H2O]+ 122.096980 122.3
[M+HCOO]- 184.097921 146.3
[M+CH3COO]- 198.113571 140.3
[M+Na-2H]- 160.074386 132.1
[M]+ 139.09917142 128.5
[M]- 139.10026858 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.