CID 82502825

2248314-45-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CN1CC2=C(C1)C=C(C=C2)CN

InChI

InChI=1S/C10H14N2/c1-12-6-9-3-2-8(5-11)4-10(9)7-12/h2-4H,5-7,11H2,1H3

InChIKey

JTFADFRGJAHKCZ-UHFFFAOYSA-N

Compound name

(2-methyl-1,3-dihydroisoindol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 162.11569 Da
Monoisotopic Mass: 0.2
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]+	163.12297	134.4
[M+Na]+	185.10491	146.2
[M+NH4]+	180.14951	144.0
[M+K]+	201.07885	141.1
[M-H]-	161.10841	137.1
[M+Na-2H]-	183.09036	140.0
[M]+	162.11514	136.7
[M]-	162.11624	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe