CID 65335335

3,3,6-trimethyl-2,3,4,9-tetrahydro-1h-carbazole

Structural Information

Molecular Formula
C15H19N
SMILES
CC1=CC2=C(C=C1)NC3=C2CC(CC3)(C)C
InChI
InChI=1S/C15H19N/c1-10-4-5-13-11(8-10)12-9-15(2,3)7-6-14(12)16-13/h4-5,8,16H,6-7,9H2,1-3H3
InChIKey
XVLNKVMYFHFYAC-UHFFFAOYSA-N
Compound name
3,3,6-trimethyl-1,2,4,9-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15175 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 149.1
[M+Na]+ 236.140968 159.3
[M-H]- 212.144474 152.5
[M+NH4]+ 231.185573 172.5
[M+K]+ 252.114908 153.6
[M+H-H2O]+ 196.149010 143.1
[M+HCOO]- 258.149951 168.0
[M+CH3COO]- 272.165601 162.1
[M+Na-2H]- 234.126416 154.9
[M]+ 213.15120142 148.1
[M]- 213.15229858 148.1
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.