CID 3063556

Dl-3-(9-julolidinyl)-2-hydroxymethyl-1-aminopropane dihydrochloride

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)CC(CN)CO
InChI
InChI=1S/C16H24N2O/c17-10-13(11-19)7-12-8-14-3-1-5-18-6-2-4-15(9-12)16(14)18/h8-9,13,19H,1-7,10-11,17H2
InChIKey
ZMDMIUGSAXRNIG-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 162.6
[M+Na]+ 283.17809 165.8
[M-H]- 259.18159 162.3
[M+NH4]+ 278.22269 178.8
[M+K]+ 299.15203 161.2
[M+H-H2O]+ 243.18613 154.8
[M+HCOO]- 305.18707 175.4
[M+CH3COO]- 319.20272 171.2
[M+Na-2H]- 281.16354 166.2
[M]+ 260.18832 157.1
[M]- 260.18942 157.1
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.