CID 197754

Retamine

Structural Information

Molecular Formula
C15H26N2O
SMILES
C1CCN2CC3CC(C2C1)CN4C3C(CCC4)O
InChI
InChI=1S/C15H26N2O/c18-14-5-3-7-17-9-11-8-12(15(14)17)10-16-6-2-1-4-13(11)16/h11-15,18H,1-10H2
InChIKey
JMXNBIDTNISOTA-UHFFFAOYSA-N
Compound name
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

212
Patents

250.20451 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 162.8
[M+Na]+ 273.19373 172.6
[M+NH4]+ 268.23833 172.9
[M+K]+ 289.16767 165.0
[M-H]- 249.19723 164.4
[M+Na-2H]- 271.17918 162.3
[M]+ 250.20396 164.4
[M]- 250.20506 164.4
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