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

1
Patents

260.18887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 164.0
[M+Na]+ 283.17809 171.1
[M-H]- 259.18159 167.3
[M+NH4]+ 278.22269 182.5
[M+K]+ 299.15203 168.0
[M+H-H2O]+ 243.18613 156.7
[M+HCOO]- 305.18707 186.3
[M+CH3COO]- 319.20272 203.0
[M+Na-2H]- 281.16354 166.6
[M]+ 260.18832 168.1
[M]- 260.18942 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