CID 60284

108980-93-4

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(CN(C)C)O
InChI
InChI=1S/C16H24N2O/c1-4-5-10-18-11-14(16(19)12-17(2)3)13-8-6-7-9-15(13)18/h6-9,11,16,19H,4-5,10,12H2,1-3H3
InChIKey
HTKVTIBNRKCQHT-UHFFFAOYSA-N
Compound name
1-(1-butylindol-3-yl)-2-(dimethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.18887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.0
[M+Na]+ 283.178088 171.1
[M-H]- 259.181594 167.3
[M+NH4]+ 278.222693 182.5
[M+K]+ 299.152028 168.0
[M+H-H2O]+ 243.186130 156.7
[M+HCOO]- 305.187071 186.3
[M+CH3COO]- 319.202721 203.0
[M+Na-2H]- 281.163536 166.6
[M]+ 260.18832142 168.1
[M]- 260.18941858 168.1
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

patents stripe