CID 31576

1h-indole, 1-(1-methoxyethyl)-

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(N1C=CC2=CC=CC=C21)OC
InChI
InChI=1S/C11H13NO/c1-9(13-2)12-8-7-10-5-3-4-6-11(10)12/h3-9H,1-2H3
InChIKey
KZLMZUCDWYXVJZ-UHFFFAOYSA-N
Compound name
1-(1-methoxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

175.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.2
[M+Na]+ 198.08894 145.9
[M-H]- 174.09244 140.0
[M+NH4]+ 193.13354 158.4
[M+K]+ 214.06288 143.6
[M+H-H2O]+ 158.09698 130.0
[M+HCOO]- 220.09792 160.2
[M+CH3COO]- 234.11357 181.2
[M+Na-2H]- 196.07439 143.1
[M]+ 175.09917 139.6
[M]- 175.10027 139.6
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