CID 139026541

1384289-79-5

Structural Information

Molecular Formula
C10H17NO3
SMILES
COC(=O)[C@@]12CC[C@@H]([C@@H](C1)CNC2)O
InChI
InChI=1S/C10H17NO3/c1-14-9(13)10-3-2-8(12)7(4-10)5-11-6-10/h7-8,11-12H,2-6H2,1H3/t7-,8-,10-/m0/s1
InChIKey
BXIUEYCXMYYKHP-NRPADANISA-N
Compound name
methyl (1S,5S,6S)-6-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.5
[M+Na]+ 222.11007 150.1
[M-H]- 198.11357 143.3
[M+NH4]+ 217.15467 165.3
[M+K]+ 238.08401 148.0
[M+H-H2O]+ 182.11811 140.2
[M+HCOO]- 244.11905 157.5
[M+CH3COO]- 258.13470 178.6
[M+Na-2H]- 220.09552 150.7
[M]+ 199.12030 139.8
[M]- 199.12140 139.8
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.