CID 295550

2,3,7-trimethylindoline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1C(NC2=C(C=CC=C12)C)C

InChI

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

InChIKey

IUWFIUDNAUTXKR-UHFFFAOYSA-N

Compound name

2,3,7-trimethyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 161.12045 Da
Monoisotopic Mass: 3.1
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	135.1
[M+Na]+	184.10967	148.2
[M+NH4]+	179.15427	144.9
[M+K]+	200.08361	142.7
[M-H]-	160.11317	137.4
[M+Na-2H]-	182.09512	140.4
[M]+	161.11990	137.6
[M]-	161.12100	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe