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

12
Patents

155.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 137.0
[M+Na]+ 178.120228 141.7
[M-H]- 154.123734 136.2
[M+NH4]+ 173.164833 159.6
[M+K]+ 194.094168 138.7
[M+H-H2O]+ 138.128270 131.6
[M+HCOO]- 200.129211 152.2
[M+CH3COO]- 214.144861 169.2
[M+Na-2H]- 176.105676 141.7
[M]+ 155.13046142 129.1
[M]- 155.13155858 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

patents stripe