CID 13664

1,2,3,4-tetrahydrocarbazole

Structural Information

Molecular Formula
C12H13N
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
InChIKey
XKLNOVWDVMWTOB-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

4493
Patents

171.1048 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe