CID 130759717

Rac-[(4ar,7as)-octahydro-1h-cyclopenta[b]pyridin-4a-yl]methanol

Structural Information

Molecular Formula
C9H17NO
SMILES
C1C[C@@H]2[C@](C1)(CCCN2)CO
InChI
InChI=1S/C9H17NO/c11-7-9-4-1-3-8(9)10-6-2-5-9/h8,10-11H,1-7H2/t8-,9-/m1/s1
InChIKey
MLTZOHOXGAJKST-RKDXNWHRSA-N
Compound name
[(4aS,7aR)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridin-4a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 137.0
[M+Na]+ 178.12023 141.7
[M-H]- 154.12373 136.2
[M+NH4]+ 173.16483 159.6
[M+K]+ 194.09417 138.7
[M+H-H2O]+ 138.12827 131.6
[M+HCOO]- 200.12921 152.2
[M+CH3COO]- 214.14486 169.2
[M+Na-2H]- 176.10568 141.7
[M]+ 155.13046 129.1
[M]- 155.13156 129.1
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.