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]+ 261.196146 162.6
[M+Na]+ 283.178088 165.8
[M-H]- 259.181594 162.3
[M+NH4]+ 278.222693 178.8
[M+K]+ 299.152028 161.2
[M+H-H2O]+ 243.186130 154.8
[M+HCOO]- 305.187071 175.4
[M+CH3COO]- 319.202721 171.2
[M+Na-2H]- 281.163536 166.2
[M]+ 260.18832142 157.1
[M]- 260.18941858 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.