CID 14146229

2-(7-ethyl-2,3-dihydro-1h-indol-3-yl)ethanol

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC1=C2C(=CC=C1)C(CN2)CCO
InChI
InChI=1S/C12H17NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,10,13-14H,2,6-8H2,1H3
InChIKey
WQHGTUYNOTUVDR-UHFFFAOYSA-N
Compound name
2-(7-ethyl-2,3-dihydro-1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.1
[M+Na]+ 214.12023 151.6
[M-H]- 190.12373 144.4
[M+NH4]+ 209.16483 164.3
[M+K]+ 230.09417 147.1
[M+H-H2O]+ 174.12827 138.3
[M+HCOO]- 236.12921 162.8
[M+CH3COO]- 250.14486 179.8
[M+Na-2H]- 212.10568 148.0
[M]+ 191.13046 142.1
[M]- 191.13156 142.1
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

No patent data available for this compound.