CID 102313842

1309611-91-3

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)CN)CN
InChI
InChI=1S/C8H16N2O2/c9-1-5-3-11-8-6(2-10)4-12-7(5)8/h5-8H,1-4,9-10H2/t5-,6-,7+,8+/m0/s1
InChIKey
JAPJNENUHJRFCL-RULNZFCNSA-N
Compound name
[(3S,3aR,6S,6aR)-6-(aminomethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

172.12119 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 137.4
[M+Na]+ 195.11041 143.4
[M-H]- 171.11391 141.7
[M+NH4]+ 190.15501 158.6
[M+K]+ 211.08435 143.6
[M+H-H2O]+ 155.11845 132.7
[M+HCOO]- 217.11939 158.3
[M+CH3COO]- 231.13504 182.3
[M+Na-2H]- 193.09586 140.8
[M]+ 172.12064 134.3
[M]- 172.12174 134.3
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

patents stripe