CID 45790910

(3s,3ar,6s,6ar)-hexahydrofuro[3,2-b]furan-3,6-diamine

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N)N
InChI
InChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2/t3-,4-,5+,6+/m0/s1
InChIKey
XHQWSUCHPAVLNQ-UNTFVMJOSA-N
Compound name
(3S,3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

144.08987 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 128.1
[M+Na]+ 167.07909 134.9
[M-H]- 143.08259 132.8
[M+NH4]+ 162.12369 150.4
[M+K]+ 183.05303 135.7
[M+H-H2O]+ 127.08713 123.8
[M+HCOO]- 189.08807 149.7
[M+CH3COO]- 203.10372 176.3
[M+Na-2H]- 165.06454 132.5
[M]+ 144.08932 124.3
[M]- 144.09042 124.3
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