CID 15399353

3,3,5-trimethylindoline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC2=C(C=C1)NCC2(C)C

InChI

InChI=1S/C11H15N/c1-8-4-5-10-9(6-8)11(2,3)7-12-10/h4-6,12H,7H2,1-3H3

InChIKey

HMLIEFOXCAUTLD-UHFFFAOYSA-N

Compound name

3,3,5-trimethyl-1,2-dihydroindole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 161.12045 Da
Monoisotopic Mass: 3.2
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]+	162.12773	135.0
[M+Na]+	184.10967	144.5
[M-H]-	160.11317	137.4
[M+NH4]+	179.15427	159.3
[M+K]+	200.08361	140.8
[M+H-H2O]+	144.11771	129.9
[M+HCOO]-	206.11865	155.5
[M+CH3COO]-	220.13430	148.8
[M+Na-2H]-	182.09512	141.0
[M]+	161.11990	133.5
[M]-	161.12100	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe