CID 21216

5135-82-0

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC(C)N1C=C(C2=CC=CC=C21)C(CN(C)C)O
InChI
InChI=1S/C15H22N2O/c1-11(2)17-9-13(15(18)10-16(3)4)12-7-5-6-8-14(12)17/h5-9,11,15,18H,10H2,1-4H3
InChIKey
VPRQHZDGYWSBRF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1-propan-2-ylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 159.6
[M+Na]+ 269.16244 166.8
[M-H]- 245.16594 163.2
[M+NH4]+ 264.20704 178.5
[M+K]+ 285.13638 164.5
[M+H-H2O]+ 229.17048 152.6
[M+HCOO]- 291.17142 181.1
[M+CH3COO]- 305.18707 200.9
[M+Na-2H]- 267.14789 161.5
[M]+ 246.17267 162.7
[M]- 246.17377 162.7
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

No patent data available for this compound.