CID 36912

Y-3310

Structural Information

Molecular Formula
C14H26N2O
SMILES
CC1CC2CN(CC(C1N3CCCC3)C2O)C
InChI
InChI=1S/C14H26N2O/c1-10-7-11-8-15(2)9-12(14(11)17)13(10)16-5-3-4-6-16/h10-14,17H,3-9H2,1-2H3
InChIKey
ITRHAWQMUCWQHM-UHFFFAOYSA-N
Compound name
3,7-dimethyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.20451 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.211786 161.1
[M+Na]+ 261.193728 165.4
[M-H]- 237.197234 161.8
[M+NH4]+ 256.238333 178.9
[M+K]+ 277.167668 161.6
[M+H-H2O]+ 221.201770 153.6
[M+HCOO]- 283.202711 171.6
[M+CH3COO]- 297.218361 170.3
[M+Na-2H]- 259.179176 159.8
[M]+ 238.20396142 153.7
[M]- 238.20505858 153.7
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.