CID 39131

Alpha-((dimethylamino)methyl)-1-methylindole-3-methanol

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN1C=C(C2=CC=CC=C21)C(CN(C)C)O
InChI
InChI=1S/C13H18N2O/c1-14(2)9-13(16)11-8-15(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3
InChIKey
USFMLOCAUMOVRI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1-methylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.8
[M+Na]+ 241.13112 158.2
[M-H]- 217.13462 153.7
[M+NH4]+ 236.17572 170.0
[M+K]+ 257.10506 155.9
[M+H-H2O]+ 201.13916 143.1
[M+HCOO]- 263.14010 173.1
[M+CH3COO]- 277.15575 194.0
[M+Na-2H]- 239.11657 154.1
[M]+ 218.14135 152.9
[M]- 218.14245 152.9
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

patents stripe