CID 3067632

81786-31-4

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CCN(CC)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChI
InChI=1S/C10H18N2O5/c1-3-11(4-2)7-5-15-10-8(17-12(13)14)6-16-9(7)10/h7-10H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey
HALVGUGZULWQJS-AXTSPUMRSA-N
Compound name
[(3S,3aR,6S,6aS)-3-(diethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12885 156.1
[M+Na]+ 269.11079 160.3
[M-H]- 245.11429 162.4
[M+NH4]+ 264.15539 174.5
[M+K]+ 285.08473 158.9
[M+H-H2O]+ 229.11883 155.7
[M+HCOO]- 291.11977 178.2
[M+CH3COO]- 305.13542 191.8
[M+Na-2H]- 267.09624 161.4
[M]+ 246.12102 157.4
[M]- 246.12212 157.4
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.