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]+ 233.164836 154.2
[M+Na]+ 255.146778 162.1
[M-H]- 231.150284 156.4
[M+NH4]+ 250.191383 173.2
[M+K]+ 271.120718 158.1
[M+H-H2O]+ 215.154820 147.4
[M+HCOO]- 277.155761 176.7
[M+CH3COO]- 291.171411 193.5
[M+Na-2H]- 253.132226 158.7
[M]+ 232.15701142 156.4
[M]- 232.15810858 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.