CID 45096676

24542-41-4

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(C)N1C=CC2=C1C=CC(=C2)O

InChI

InChI=1S/C11H13NO/c1-8(2)12-6-5-9-7-10(13)3-4-11(9)12/h3-8,13H,1-2H3

InChIKey

AIGUVPVJFSWHKD-UHFFFAOYSA-N

Compound name

1-propan-2-ylindol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.09972 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.10700	136.3
[M+Na]+	198.08894	146.5
[M-H]-	174.09244	139.2
[M+NH4]+	193.13354	158.1
[M+K]+	214.06288	143.3
[M+H-H2O]+	158.09698	130.7
[M+HCOO]-	220.09792	158.8
[M+CH3COO]-	234.11357	179.6
[M+Na-2H]-	196.07439	142.1
[M]+	175.09917	138.2
[M]-	175.10027	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe