CID 23640750

3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol

Structural Information

Molecular Formula
C14H20N2O
SMILES
CN(C)CC1=CNC2=C(C=CC=C12)CCCO
InChI
InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3
InChIKey
KKQDXWHOFSMCSA-UHFFFAOYSA-N
Compound name
3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.2
[M+Na]+ 255.14678 162.1
[M-H]- 231.15028 156.4
[M+NH4]+ 250.19138 173.2
[M+K]+ 271.12072 158.1
[M+H-H2O]+ 215.15482 147.4
[M+HCOO]- 277.15576 176.7
[M+CH3COO]- 291.17141 193.5
[M+Na-2H]- 253.13223 158.7
[M]+ 232.15701 156.4
[M]- 232.15811 156.4
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

No patent data available for this compound.