CID 121001187

3-(oxolan-3-yl)-1-(pyridin-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1COCC1CCC(C2=CN=CC=C2)N
InChI
InChI=1S/C12H18N2O/c13-12(11-2-1-6-14-8-11)4-3-10-5-7-15-9-10/h1-2,6,8,10,12H,3-5,7,9,13H2
InChIKey
BKKVZXYNKXDYFM-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)-1-pyridin-3-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.9
[M+Na]+ 229.13112 152.1
[M-H]- 205.13462 152.4
[M+NH4]+ 224.17572 164.8
[M+K]+ 245.10506 150.7
[M+H-H2O]+ 189.13916 139.9
[M+HCOO]- 251.14010 168.2
[M+CH3COO]- 265.15575 186.3
[M+Na-2H]- 227.11657 151.4
[M]+ 206.14135 144.3
[M]- 206.14245 144.3
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.