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]+ 192.138286 144.1
[M+Na]+ 214.120228 151.6
[M-H]- 190.123734 144.4
[M+NH4]+ 209.164833 164.3
[M+K]+ 230.094168 147.1
[M+H-H2O]+ 174.128270 138.3
[M+HCOO]- 236.129211 162.8
[M+CH3COO]- 250.144861 179.8
[M+Na-2H]- 212.105676 148.0
[M]+ 191.13046142 142.1
[M]- 191.13155858 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.