CID 3036156

Altinicline

Structural Information

Molecular Formula
C12H14N2
SMILES
CN1CCC[C@H]1C2=CN=CC(=C2)C#C
InChI
InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
InChIKey
NUPUDYKEEJNZRG-LBPRGKRZSA-N
Compound name
3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

417
Patents

186.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.3
[M+Na]+ 209.10491 150.2
[M-H]- 185.10841 141.6
[M+NH4]+ 204.14951 156.8
[M+K]+ 225.07885 144.6
[M+H-H2O]+ 169.11295 125.9
[M+HCOO]- 231.11389 154.9
[M+CH3COO]- 245.12954 151.1
[M+Na-2H]- 207.09036 142.5
[M]+ 186.11514 132.3
[M]- 186.11624 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe