CID 12960086

1-methyl-5-pyridin-3-ylpyrrolidin-3-ol

Structural Information

Molecular Formula
C10H14N2O
SMILES
CN1CC(CC1C2=CN=CC=C2)O
InChI
InChI=1S/C10H14N2O/c1-12-7-9(13)5-10(12)8-3-2-4-11-6-8/h2-4,6,9-10,13H,5,7H2,1H3
InChIKey
QMZDJTKDTYAGGJ-UHFFFAOYSA-N
Compound name
1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 138.8
[M+Na]+ 201.099828 146.5
[M-H]- 177.103334 141.6
[M+NH4]+ 196.144433 157.4
[M+K]+ 217.073768 143.6
[M+H-H2O]+ 161.107870 131.3
[M+HCOO]- 223.108811 158.6
[M+CH3COO]- 237.124461 177.6
[M+Na-2H]- 199.085276 142.5
[M]+ 178.11006142 135.8
[M]- 178.11115858 135.8
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

patents stripe