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

177
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 159.6
[M+Na]+ 273.19373 161.5
[M-H]- 249.19723 157.3
[M+NH4]+ 268.23833 176.2
[M+K]+ 289.16767 156.8
[M+H-H2O]+ 233.20177 150.6
[M+HCOO]- 295.20271 163.9
[M+CH3COO]- 309.21836 166.6
[M+Na-2H]- 271.17918 162.6
[M]+ 250.20396 148.2
[M]- 250.20506 148.2
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.