CID 58319

9-methyl-6-dimethylaminomethyl-1,2,3,4-tetrahydrocarbazole

Structural Information

Molecular Formula

C₁₆H₂₂N₂

SMILES

CN1C2=C(CCCC2)C3=C1C=CC(=C3)CN(C)C

InChI

InChI=1S/C16H22N2/c1-17(2)11-12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)3/h8-10H,4-7,11H2,1-3H3

InChIKey

LHWPCWSXUXFHEA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.1783 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]+	243.185576	157.1
[M+Na]+	265.167518	165.2
[M-H]-	241.171024	162.5
[M+NH4]+	260.212123	178.1
[M+K]+	281.141458	161.5
[M+H-H2O]+	225.175560	149.7
[M+HCOO]-	287.176501	178.5
[M+CH3COO]-	301.192151	169.8
[M+Na-2H]-	263.152966	161.5
[M]+	242.17775142	158.5
[M]-	242.17884858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.