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

63
Patents

209.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 146.8
[M+Na]+ 232.109668 158.4
[M-H]- 208.113174 151.9
[M+NH4]+ 227.154273 171.0
[M+K]+ 248.083608 153.4
[M+H-H2O]+ 192.117710 140.4
[M+HCOO]- 254.118651 168.6
[M+CH3COO]- 268.134301 161.0
[M+Na-2H]- 230.095116 154.0
[M]+ 209.11990142 149.0
[M]- 209.12099858 149.0
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