CID 44623

63716-37-0

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

CN1C2=C(CCCC2)C3=C1C=C(C=C3)N

InChI

InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-7-6-9(14)8-13(11)15/h6-8H,2-5,14H2,1H3

InChIKey

QXIPOFFBZVZDFV-UHFFFAOYSA-N

Compound name

9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.13135 Da
Monoisotopic Mass: 2.5
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]+	201.138626	143.0
[M+Na]+	223.120568	152.6
[M-H]-	199.124074	147.1
[M+NH4]+	218.165173	165.0
[M+K]+	239.094508	147.8
[M+H-H2O]+	183.128610	136.5
[M+HCOO]-	245.129551	164.5
[M+CH3COO]-	259.145201	156.3
[M+Na-2H]-	221.106016	149.0
[M]+	200.13080142	141.3
[M]-	200.13189858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe