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

108
Patents

144.08987 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 128.1
[M+Na]+ 167.079088 134.9
[M-H]- 143.082594 132.8
[M+NH4]+ 162.123693 150.4
[M+K]+ 183.053028 135.7
[M+H-H2O]+ 127.087130 123.8
[M+HCOO]- 189.088071 149.7
[M+CH3COO]- 203.103721 176.3
[M+Na-2H]- 165.064536 132.5
[M]+ 144.08932142 124.3
[M]- 144.09041858 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