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]+ 207.149176 147.9
[M+Na]+ 229.131118 152.1
[M-H]- 205.134624 152.4
[M+NH4]+ 224.175723 164.8
[M+K]+ 245.105058 150.7
[M+H-H2O]+ 189.139160 139.9
[M+HCOO]- 251.140101 168.2
[M+CH3COO]- 265.155751 186.3
[M+Na-2H]- 227.116566 151.4
[M]+ 206.14135142 144.3
[M]- 206.14244858 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.