CID 12357332

6,7,8,9-tetrahydro-1h-benzo[g]indole

Structural Information

Molecular Formula
C12H13N
SMILES
C1CCC2=C(C1)C=CC3=C2NC=C3
InChI
InChI=1S/C12H13N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h5-8,13H,1-4H2
InChIKey
VOGFQCWPTBIAFM-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-1H-benzo[g]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

171.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 134.5
[M+Na]+ 194.09402 143.0
[M-H]- 170.09752 137.2
[M+NH4]+ 189.13862 156.8
[M+K]+ 210.06796 138.0
[M+H-H2O]+ 154.10206 128.2
[M+HCOO]- 216.10300 154.4
[M+CH3COO]- 230.11865 147.6
[M+Na-2H]- 192.07947 142.4
[M]+ 171.10425 131.4
[M]- 171.10535 131.4
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

patents stripe