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]+ 173.128466 137.4
[M+Na]+ 195.110408 143.4
[M-H]- 171.113914 141.7
[M+NH4]+ 190.155013 158.6
[M+K]+ 211.084348 143.6
[M+H-H2O]+ 155.118450 132.7
[M+HCOO]- 217.119391 158.3
[M+CH3COO]- 231.135041 182.3
[M+Na-2H]- 193.095856 140.8
[M]+ 172.12064142 134.3
[M]- 172.12173858 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