CID 82418968

1369147-22-7

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CN[C@H]2[C@H]1COC2
InChI
InChI=1S/C6H11NO/c1-2-7-6-4-8-3-5(1)6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKey
QFKVQNJEBLYEAH-PHDIDXHHSA-N
Compound name
(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.5
[M+Na]+ 136.073278 128.9
[M-H]- 112.076784 124.2
[M+NH4]+ 131.117883 146.1
[M+K]+ 152.047218 128.7
[M+H-H2O]+ 96.081320 117.5
[M+HCOO]- 158.082261 141.5
[M+CH3COO]- 172.097911 136.0
[M+Na-2H]- 134.058726 127.6
[M]+ 113.08351142 117.9
[M]- 113.08460858 117.9
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.