CID 1201543

Cuscohygrine

Structural Information

Molecular Formula
C13H24N2O
SMILES
CN1CCC[C@@H]1CC(=O)C[C@@H]2CCCN2C
InChI
InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKey
ZEBIACKKLGVLFZ-TXEJJXNPSA-N
Compound name
1-[(2S)-1-methylpyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

249
Patents

224.18886 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.196136 157.4
[M+Na]+ 247.178078 161.9
[M-H]- 223.181584 160.5
[M+NH4]+ 242.222683 176.3
[M+K]+ 263.152018 160.0
[M+H-H2O]+ 207.186120 149.6
[M+HCOO]- 269.187061 174.6
[M+CH3COO]- 283.202711 190.4
[M+Na-2H]- 245.163526 154.1
[M]+ 224.18831142 153.9
[M]- 224.18940858 153.9
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