CID 12871551

2,3,3-trimethyl-3h-benzo[g]indole

Structural Information

Molecular Formula
C15H15N
SMILES
CC1=NC2=C(C1(C)C)C=CC3=CC=CC=C32
InChI
InChI=1S/C15H15N/c1-10-15(2,3)13-9-8-11-6-4-5-7-12(11)14(13)16-10/h4-9H,1-3H3
InChIKey
MNRRNPKQXGBGBH-UHFFFAOYSA-N
Compound name
2,3,3-trimethylbenzo[g]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

209.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 146.6
[M+Na]+ 232.10967 162.5
[M+NH4]+ 227.15427 159.0
[M+K]+ 248.08361 153.3
[M-H]- 208.11317 150.7
[M+Na-2H]- 230.09512 155.3
[M]+ 209.11990 150.5
[M]- 209.12100 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe