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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 157.1
[M+Na]+ 265.16752 165.2
[M-H]- 241.17102 162.5
[M+NH4]+ 260.21212 178.1
[M+K]+ 281.14146 161.5
[M+H-H2O]+ 225.17556 149.7
[M+HCOO]- 287.17650 178.5
[M+CH3COO]- 301.19215 169.8
[M+Na-2H]- 263.15297 161.5
[M]+ 242.17775 158.5
[M]- 242.17885 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.