CID 198231

41340-36-7

Structural Information

Molecular Formula
C12H15NO
SMILES
CCC1=C2C(=CC=C1)C(=CN2)CCO
InChI
InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
InChIKey
UVSDNCAZVSQJQA-UHFFFAOYSA-N
Compound name
2-(7-ethyl-1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

62
Patents

189.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.1
[M+Na]+ 212.10459 154.4
[M+NH4]+ 207.14919 149.9
[M+K]+ 228.07853 148.9
[M-H]- 188.10809 142.6
[M+Na-2H]- 210.09004 147.0
[M]+ 189.11482 143.4
[M]- 189.11592 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe