CID 3069980

Indole, 1-(1-isobutoxyethyl)-

Structural Information

Molecular Formula
C14H19NO
SMILES
CC(C)COC(C)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C14H19NO/c1-11(2)10-16-12(3)15-9-8-13-6-4-5-7-14(13)15/h4-9,11-12H,10H2,1-3H3
InChIKey
ACNZOELBWAXPEH-UHFFFAOYSA-N
Compound name
1-[1-(2-methylpropoxy)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 149.6
[M+Na]+ 240.13589 162.5
[M+NH4]+ 235.18049 158.5
[M+K]+ 256.10983 157.3
[M-H]- 216.13939 151.6
[M+Na-2H]- 238.12134 155.8
[M]+ 217.14612 152.1
[M]- 217.14722 152.1
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.