CID 101162

2,3,4,4a,9,9a-hexahydro-1h-carbazole

Structural Information

Molecular Formula
C12H15N
SMILES
C1CCC2C(C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12-13H,2,4,6,8H2
InChIKey
HYKFPJAARRNNRX-UHFFFAOYSA-N
Compound name
2,3,4,4a,9,9a-hexahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

651
Patents

173.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 137.4
[M+Na]+ 196.109668 143.8
[M-H]- 172.113174 139.2
[M+NH4]+ 191.154273 159.4
[M+K]+ 212.083608 139.2
[M+H-H2O]+ 156.117710 131.0
[M+HCOO]- 218.118651 154.3
[M+CH3COO]- 232.134301 149.3
[M+Na-2H]- 194.095116 143.2
[M]+ 173.11990142 131.3
[M]- 173.12099858 131.3
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