CID 58289813

1092794-94-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1(C2=C(CN1C)C=C(C=C2)N)C

InChI

InChI=1S/C11H16N2/c1-11(2)10-5-4-9(12)6-8(10)7-13(11)3/h4-6H,7,12H2,1-3H3

InChIKey

QAWIGFGJXOCTRI-UHFFFAOYSA-N

Compound name

1,1,2-trimethyl-3H-isoindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 176.13135 Da
Monoisotopic Mass: 1.2
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]+	177.13863	138.1
[M+Na]+	199.12057	148.1
[M-H]-	175.12407	141.7
[M+NH4]+	194.16517	162.2
[M+K]+	215.09451	144.8
[M+H-H2O]+	159.12861	132.8
[M+HCOO]-	221.12955	160.5
[M+CH3COO]-	235.14520	184.8
[M+Na-2H]-	197.10602	143.4
[M]+	176.13080	137.1
[M]-	176.13190	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe