CID 96217919

1629784-77-5

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNC[C@@H]2[C@H]1OCC2
InChI
InChI=1S/C7H13NO/c1-3-8-5-6-2-4-9-7(1)6/h6-8H,1-5H2/t6-,7+/m1/s1
InChIKey
TXUAGBMPDJZPAN-RQJHMYQMSA-N
Compound name
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.9
[M+Na]+ 150.08894 131.0
[M-H]- 126.09244 127.1
[M+NH4]+ 145.13354 147.1
[M+K]+ 166.06288 130.3
[M+H-H2O]+ 110.09698 120.2
[M+HCOO]- 172.09792 142.4
[M+CH3COO]- 186.11357 138.3
[M+Na-2H]- 148.07439 132.0
[M]+ 127.09917 119.4
[M]- 127.10027 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

patents stripe