CID 94844384

1807939-96-3

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@H]2COC[C@@H]2NC1
InChI
InChI=1S/C7H13NO/c1-2-6-4-9-5-7(6)8-3-1/h6-8H,1-5H2/t6-,7+/m1/s1
InChIKey
ZZWFAKPWUUTAEQ-RQJHMYQMSA-N
Compound name
(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.9
[M+Na]+ 150.088938 131.0
[M-H]- 126.092444 127.1
[M+NH4]+ 145.133543 147.1
[M+K]+ 166.062878 130.3
[M+H-H2O]+ 110.096980 120.2
[M+HCOO]- 172.097921 142.4
[M+CH3COO]- 186.113571 138.3
[M+Na-2H]- 148.074386 132.0
[M]+ 127.09917142 119.4
[M]- 127.10026858 119.4
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.