CID 68243000

Rac-(4ar,7as)-octahydrospiro[cyclopenta[c]pyridine-6,2'-[1,3]dioxolane]

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CNC[C@@H]2[C@H]1CC3(C2)OCCO3
InChI
InChI=1S/C10H17NO2/c1-2-11-7-9-6-10(5-8(1)9)12-3-4-13-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKey
TZJZOULYGRRCMR-RKDXNWHRSA-N
Compound name
(4aR,7aS)-spiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 140.4
[M+Na]+ 206.115148 145.2
[M-H]- 182.118654 144.2
[M+NH4]+ 201.159753 161.8
[M+K]+ 222.089088 144.8
[M+H-H2O]+ 166.123190 135.1
[M+HCOO]- 228.124131 154.4
[M+CH3COO]- 242.139781 152.1
[M+Na-2H]- 204.100596 144.5
[M]+ 183.12538142 133.6
[M]- 183.12647858 133.6
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.